SCHEMBL4465114

SCHEMBL4465114

COc1ccc2c[c]ccc2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
MAPT P10636 2/20 0.35
CYP17A1 P05093 1/20 0.35
SLC6A4 P31645 3/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 1/20 0.34
LMNA P02545 3/20 0.33
NCEH1 Q6PIU2 3/20 0.33
NQO1 P15559 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
S1PR4 O95977 1/20 0.32
HSP90AA1 P07900 1/20 0.32
G6PD P11413 1/20 0.32

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
SCHEMBL9164412 0.80 MAPT (0.36) MAPTNCEH1NQO1ALDH1A1KDM4E
SCHEMBL9739745 0.80 MAPT (0.40) MAPTLMNANQO1ALDH1A1KDM4E
SCHEMBL8556354 0.79 MAPT (0.35) CYP11B1CYP11B2MAPTCYP17A1NQO1
SCHEMBL4326638 0.79 CYP19A1 (0.41) CYP19A1CYP11B1CYP11B2MAPTNCEH1
SCHEMBL8722679 0.79 MAPT (0.35) MAPTNCEH1NQO1
SCHEMBL1402281 0.77 IMPDH2 (0.42) MAPTLMNANQO1
SCHEMBL8721893 0.76 KMT2A (0.38) MAPTLMNANCEH1KDM4ESMN1; SMN2
SCHEMBL5685325 0.76 PDE3B (0.31)
SCHEMBL5685068 0.75 CYP2A6 (0.50) MAPK1
SCHEMBL28902991 0.75 KDM2B (0.37) HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641304-B1 STEREO-SELECTIVE SYNTHESIS OF 2-ARYL-PROPIONIC ACIDS OF HIGH OPTICAL PURITY BY USING CHIRAL OXAZOLINES CHEMISCH BIOTECHNOLOGISCHE LAB (DE) 1998-04-08 EP claimed
EP-0486045-B1 S(+)-Phenyl-alkanoic acids and alpha-amino acid containing complexes PUETTER MEDICE CHEM PHARM (DE) 1996-05-08 EP claimed
EP-0486964-B1 S(+)-Phenyl-alkanoic acids and alpha-hydroxy-alkanoic acids containing complexes PUETTER MEDICE CHEM PHARM (DE) 1996-05-01 EP claimed
EP-0486046-B1 S(+)-Phenyl-alkanoic acids and aminosugar containing complexes PUETTER MEDICE CHEM PHARM (DE) 1996-05-01 EP claimed
EP-0398288-B1 Process for preparing optically active 2-arylalkanoic acids, in particular 2-arylpropionic acids PUETTER MEDICE CHEM PHARM (DE) 1995-10-18 EP claimed
EP-0668259-A1 A method for the preparation of optically active 2-aryl alkyl aldehydes and formation of 2-aryl-alkanoic acids therefrom MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1995-08-23 EP claimed
US-5434302-A Method for the preparation of optically active 2-aryl alkyl aldehydes and formation of 2-aryl-alkanoic acids therefrom PARADIES H HENRICH (DE) 1995-07-18 US claimed
EP-0641304-A1 STEREO-SELECTIVE SYNTHESIS OF 2-ARYL-PROPIONIC ACIDS OF HIGH OPTICAL PURITY BY USING CHIRAL OXAZOLINES CHEMISCH BIOTECHNOLOGISCHE LABORATORIEN GMBH (DE) 1995-03-08 EP claimed
US-5380927-A Process for preparing optically active 2-aryl-alkanoic acids, in particular 2-aryl-propionic acids MEDICE CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1995-01-10 US claimed
EP-0641304-A4 STEREO-SELECTIVE SYNTHESIS OF 2-ARYL-PROPIONIC ACIDS OF HIGH OPTICAL PURITY BY USING CHIRAL OXAZOLINES. KUNICHEM INC (US) 1994-12-13 EP claimed
EP-0486045-A2 S(+)-Phenyl-alkanoic acids and alpha-amino acid containing complexes MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1992-05-20 EP claimed
EP-0486046-A2 S(+)-Phenyl-alkanoic acids and aminosugar containing complexes MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1992-05-20 EP claimed
EP-0398288-A2 Process for preparing optically active 2-arylalkanoic acids, in particular 2-arylpropionic acids MEDICEChem.-Pharm. Fabrik Pütter GmbH & Co. KG (DE) 1990-11-22 EP claimed
EP-0380316-A2 Preparation of alpha-methylareneacetic acids SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1990-08-01 EP claimed
EP-0178580-B1 INTERMEDIATES FOR THE SYNTHESIS OF CARBOXYLIC ACIDS ZAMBON S.p.A. (IT) 1990-01-03 EP claimed
US-4888433-A CHIRAL HALOGENATED KETALS WHICH UNDERGO STEREOSELECTIVE REARRANGEMENT ZAMBON, S.P.A. (IT) 1989-12-19 US claimed
US-4845243-A Intermediates and their use in the synthesis of organic compounds ZAMBON S.P.A. (IT) 1989-07-04 US claimed
EP-0272644-A2 Intermediates and their use in the synthesis of organic compounds ZAMBON S.p.A. (IT) 1988-06-29 EP claimed
US-4734507-A Optically active ketals, processes for their preparation and their use in the synthesis of alpha-arylalkanoic acids ZAMBON S.P.A. (IT) 1988-03-29 US claimed
EP-0178580-A2 Intermediates for the synthesis of carboxylic acids ZAMBON S.p.A. (IT) 1986-04-23 EP claimed