SCHEMBL96509

SCHEMBL96509

C=CCC(O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.57
LMNA P02545 1/20 0.52
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RIPK1 Q13546 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
AOC3 Q16853 5/20 0.47
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
BCAT2 O15382 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL5732595 1.00 CYP2C19 (0.57) CYP2C19LMNAKDM4EL3MBTL1RIPK1
SCHEMBL5733567 1.00 CYP2C19 (0.57) CYP2C19LMNAKDM4EL3MBTL1RIPK1
Benzaldehyde SCHEMBL10397396 0.87 CYP2C19 (0.50) CYP2C19LMNAKDM4EL3MBTL1RIPK1
SCHEMBL13839691 0.84 CYP2C19 (0.50) CYP2C19LMNAKDM4EL3MBTL1RIPK1
SCHEMBL9284488 0.84 CYP2C19 (0.50) CYP2C19LMNAKDM4EL3MBTL1RIPK1
SCHEMBL10187514 0.83 HRH3 (0.48) CYP2C19SMN1; SMN2ALDH1A1HRH3RAB9A
SCHEMBL18536030 0.81 CYP2C19 (0.43) CYP2C19LMNAKDM4EL3MBTL1RIPK1
SCHEMBL5153023 0.80 HRH3 (0.44) CYP2C19HRH3
SCHEMBL13662800 0.80 HRH3 (0.44) CYP2C19HRH3
SCHEMBL15184685 0.80 HRH3 (0.44) CYP2C19HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459766-A Fluorosilicone oil containing phosphate and preparation method thereof 中国科学院上海有机化学研究所 2024-08-09 CN claimed
CN-118307789-A Resin microsphere for blood perfusion and preparation method and application thereof 河南驼人医疗器械研究院有限公司 2024-07-09 CN claimed
CN-117987121-A Compound, polymer with fluidity regulation and interfacial activity, and preparation method and application thereof 中国石油化工股份有限公司 2024-05-07 CN claimed
CN-117946385-A Surfactant containing block copolymer and preparation method and application thereof 成都科宏达科技有限公司 2024-04-30 CN claimed
CN-117063925-A Termite control drug and preparation method thereof 深圳市胜隆环境技术有限公司 2023-11-17 CN claimed
CN-115583864-A Preparation method of homoallylic alcohol compound 哈尔滨工业大学(深圳) 2023-01-10 CN claimed
CN-109706191-B Enzyme catalytic synthesis method of tomoxetine intermediate 南京欧信医药技术有限公司 2022-09-09 CN claimed
CN-109400449-B Method for preparing alkyl phenyl alcohol polyoxyethylene ether 中国日用化学研究院有限公司 2022-06-10 CN claimed
CN-112080194-B Self-luminous pavement 江苏固迈新材料技术有限公司 2022-02-11 CN claimed
CN-112080194-A Self-luminous pavement 江苏固迈新材料技术有限公司 2020-12-15 CN claimed
US-5504221-A Method for resolving racemic compounds DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 1996-04-02 US claimed
EP-0539682-B1 Agent for preserving wood and woodey materials, process for the preparation and use thereof DESOWAG MATERIALSCHUTZ GMBH (DE) 1994-12-07 EP claimed
EP-0191208-A1 Production of bis(alpha-alkylbenzyl)ethers ATLANTIC RICHFIELD COMPANY (US) 1986-08-20 EP claimed
US-4528406-A Production of bis(alpha-alkylbenzyl)ethers ATLANTIC RICHFIELD COMPANY (US) 1985-07-09 US claimed
US-4521636-A CONDENSATION OF ALPHA ALKYLBENZYL ALCOHOL IN PRESENCE OF ALUMINUM SULFATE CATALYST ATLANTIC RICHFIELD COMPANY (US) 1985-06-04 US claimed
US-4521637-A ETHERIFICATION OF ALPHA-ALKYLBENZYL ALCOHOL USING ACID TREATED ALUMINA CATALYST ATLANTIC RICHFIELD COMPANY (US) 1985-06-04 US claimed
US-4521635-A USING ACID-TREATED ALUMINA CATALYST ATLANTIC RICHFIELD COMPANY (US) 1985-06-04 US claimed
US-4150059-A Dehydration of alpha-methylbenzyl alcohols over silica to form monovinylidene aromatic monomers THE DOW CHEMICAL COMPANY (US) 1979-04-17 US claimed
US-4054610-A INTERMEDIATE FOR PRODUCTION OF POLYENES STUDIENGESELLSCHAFT KOHLE M.B.H. (DT) 1977-10-18 US claimed
US-4049736-A SILICA GEL CATALYST THE DOW CHEMICAL COMPANY (US) 1977-09-20 US claimed