SCHEMBL901458

SCHEMBL901458

Oc1cccc(C2CCCCC2)c1C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NUDT1 P36639 1/20 0.40
BACE1 P56817 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
GAA P10253 1/20 0.39
ABCB1 P08183 1/20 0.38
CEL P19835 1/20 0.37
PTPN5 P54829 2/20 0.36
PTPN2 P17706 1/20 0.36
KMO O15229 1/20 0.36
PPIA P62937 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4962002 1.00 CHRNB2 (0.53) CHRNB2CHRNA4HDAC4HDAC2HDAC8
SCHEMBL4961704 1.00 CHRNB2 (0.53) CHRNB2CHRNA4HDAC4HDAC2HDAC8
SCHEMBL4961639 1.00 CHRNB2 (0.53) CHRNB2CHRNA4HDAC4HDAC2HDAC8
SCHEMBL4958023 1.00 CHRNB2 (0.53) CHRNB2CHRNA4HDAC4HDAC2HDAC8
Phosphine SCHEMBL3630479 0.98 CHRNB2 (0.56) CHRNB2CHRNA4HDAC4HDAC2HDAC8
SCHEMBL4962052 0.98 CHRNB2 (0.55) CHRNB2CHRNA4HDAC4HDAC2HDAC8
SCHEMBL4961033 0.94 CHRNB2 (0.55) CHRNB2CHRNA4HDAC4HDAC2HDAC8
SCHEMBL6152672 0.90 CHRNB2 (0.58) CHRNB2CHRNA4HDAC4HDAC2HDAC8
SCHEMBL4965472 0.90 CHRNB2 (0.58) CHRNB2CHRNA4HDAC4HDAC2HDAC8
SCHEMBL7531576 0.87 HDAC4 (0.50) CHRNB2CHRNA4HDAC4HDAC2HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 196 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119322128-A Method for measuring diacetyl phenol butyl and derivative thereof in tea beverage by high-resolution mass spectrum 梧州市食品药品检验所 2025-01-17 CN claimed
CN-112358498-A Tetraaryloxy IVB group binuclear metal complex and preparation and application thereof 万华化学集团股份有限公司 2021-02-12 CN claimed
CN-103695054-B Alcohol-based gasoline additive as well as preparation method and application thereof XI AN JIAHONG PETROCHEMICAL TECHNOLOGY CO LTD 2014-09-03 CN claimed
CN-103695054-A Alcohol-based gasoline additive as well as preparation method and application thereof XI AN JIAHONG PETROCHEMICAL TECHNOLOGY CO LTD 2014-04-02 CN claimed
WO-2006057942-A1 PROCESS FOR MAKING PHENOLIC RESINS INDSPEC CHEMICAL CORPORATION (US) 2006-06-01 WO claimed
US-20060111508-A1 Process for making phenolic resins INDSPEC CHEMICAL CORPORATION 2006-05-25 US claimed
CN-119948080-A Active ester resin, epoxy resin composition, cured product thereof, prepreg, laminated board and laminated film 日铁化学材料株式会社 2025-05-06 CN disclosed
CN-119403857-A Multifunctional vinyl resin and method for producing same 日铁化学材料株式会社 2025-02-07 CN disclosed
CN-119322128-A Method for measuring diacetyl phenol butyl and derivative thereof in tea beverage by high-resolution mass spectrum 梧州市食品药品检验所 2025-01-17 CN disclosed
CN-118599090-A Vinyl resin production method, vinyl resin, composition thereof, cured product, prepreg, resin sheet, and laminate 日铁化学材料株式会社 2024-09-06 CN disclosed
CN-118225927-A Method for determining content of phenolic butyl and ester derivatives and analogues thereof in ferment plums by ultra-high performance liquid chromatography-tandem mass spectrometry 江阴市食品安全检测中心 2024-06-21 CN disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
WO-2024106209-A1 POLYFUNCTIONAL VINYL RESIN, MANUFACTURING METHOD THEREFOR, POLYFUNCTIONAL VINYL RESIN COMPOSITION, AND CURED PRODUCT THEREOF 日鉄ケミカル&マテリアル株式会社 2024-05-23 WO disclosed
EP-0485207-A1 Stabilized oil-in-water emulsions RHONE-POULENC AGROCHIMIE (FR) 1992-05-13 EP disclosed
US-5096711-A Comprising a lipophilic pesticide, solvent, both a hydrophobic and hydrophilic surfactant, a titanium oxide dispersant and water; storage stability; nonmelting solid phase RHONE-POULENC AGROCHIMIE (FR) 1992-03-17 US disclosed
EP-0259746-B1 PROCESS FOR PRODUCING 2,2-BIS(4'-HYDROXYPHENYL) PROPANES IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1991-05-15 EP disclosed
CN-1040124-A Oil-in-water emulsion of pesticides and using method thereof RHONE POULENC AGROCHIMIE (FR) 1990-03-07 CN disclosed
EP-0342134-A1 Pesticidal oil-in-water emulsion, method of using it RHONE-POULENC AGROCHIMIE (FR) 1989-11-15 EP disclosed
US-4814520-A CONDENSATION OF UNSATURATED COMPOUND AND PHENOL IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) 1989-03-21 US disclosed
EP-0259746-A1 Process for producing 2,2-bis(4'-hydroxyphenyl) propanes IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1988-03-16 EP disclosed