SCHEMBL7762458

SCHEMBL7762458

CCCCC[C@H]1CC[C@H](C(=O)Oc2ccc(OC)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
F2 P00734 1/20 0.44
ELANE P08246 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GRM2 Q14416 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL1896520 1.00 HTT (0.47) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL11411608 0.96 KMT2A (0.44) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL7913960 0.96 HTT (0.49) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL7913964 0.96 HTT (0.49) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL11404298 0.95 KMT2A (0.43) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL11403410 0.95 KMT2A (0.43) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL11418148 0.95 KMT2A (0.43) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL11405326 0.92 KMT2A (0.45) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL7900545 0.90 HTT (0.51) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL7900546 0.90 HTT (0.51) HTTKMT2ASMN1; SMN2TDP1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37270-E1 EXCELLENT ELECTRO-OPTIC STEEPNESS AND VIEWING ANGLE COMBINED WITH BIREFRINGENCE FOR USE IN STANDARD DISPLAY CELLS; MIXTURE OF 4-CYANO-3-FLUOROPHENYL BENZOATES, BENZONITRILES, ALKYLPHENYL ESTERS OF CYCLOHEXANE OR PHENYLCARBOXYLIC ACIDS MERCK PATENT GESELLSCHAFT (DE) 2001-07-10 US claimed
EP-0285617-B1 LIQUID CRYSTAL PHASE MERCK PATENT GmbH (DE) 1991-12-27 EP claimed
US-4886621-A ACCEPTABLE COMBINATION OF THRESHOLD STEEPNESS, VIEWING ANGLE AND TEMPERATURE DEPENDENCE AT LOW THRESHOLD VOLTAGE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-12-12 US claimed
US-4783280-A Liquid crystal mixture HOFFMANN-LA ROCHE INC. (US) 1988-11-08 US claimed
US-4395350-A Liquid crystal mixtures HOFFMANN-LA ROCHE INC. (US) 1983-07-26 US claimed
US-4389329-A Meterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 1983-06-21 US claimed
EP-0014885-B1 CYCLOHEXYLPYRIMIDINES, THEIR PREPARATION AND USE, AS WELL AS LIQUID CRYSTALS MIXTURES AND ELECTRO-OPTICAL APPARATUSES CONTAINING THESE COMPOUNDS AND THEIR PREPARATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-06-15 EP claimed
US-4364838-A Liquid crystal mixtures HOFFMANN-LA ROCHE INC. (US) 1982-12-21 US claimed
US-RE37270-E1 EXCELLENT ELECTRO-OPTIC STEEPNESS AND VIEWING ANGLE COMBINED WITH BIREFRINGENCE FOR USE IN STANDARD DISPLAY CELLS; MIXTURE OF 4-CYANO-3-FLUOROPHENYL BENZOATES, BENZONITRILES, ALKYLPHENYL ESTERS OF CYCLOHEXANE OR PHENYLCARBOXYLIC ACIDS MERCK PATENT GESELLSCHAFT (DE) 2001-07-10 US disclosed
EP-0714899-B1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHINETSU CHEMICAL CO (JP) 2001-04-18 EP disclosed
US-6210760-B1 SHORT SWITCHING TIMES AND GRADIENTS AND ANGULAR DEPENDENCIES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2001-04-03 US disclosed
EP-0700982-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-04-26 EP disclosed
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
US-5876626-A HIGH SPEED SWITCHING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-02 US disclosed
US-4389329-A Meterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 1983-06-21 US disclosed
US-4366080-A Liquid crystal display element TOKYO SHIBAURA DENKI KABUSHIKI KAISHA (JP) 1982-12-28 US disclosed
US-4364838-A Liquid crystal mixtures HOFFMANN-LA ROCHE INC. (US) 1982-12-21 US disclosed
EP-0037902-A1 Liquid crystal display element KABUSHIKI KAISHA TOSHIBA (JP) 1981-10-21 EP disclosed
US-4279770-A Liquid crystal 2,3-dicyano-hydroquinone derivatives CHISSO CORPORATION (JP) 1981-07-21 US disclosed
US-4273929-A Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 1981-06-16 US disclosed