SCHEMBL7367328

SCHEMBL7367328

CC(=O)SCC(Cc1ccccc1C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.44
MME P08473 2/20 0.42
ACE P12821 1/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ABCC3 O15438 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
NR3C1 P04150 1/20 0.41
RARG P13631 1/20 0.41
CNR1 P21554 1/20 0.41
OPRK1 P41145 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41

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
SCHEMBL7367331 1.00 PPARG (0.45) PPARGPPARAMMEACEHPGD
SCHEMBL7438291 0.87 PPARA (0.40) PPARGPPARAMMEACEHPGD
SCHEMBL11259457 0.85 HPGD (0.47) PPARGPPARAHPGDALDH1A1CYP1A2
SCHEMBL6160470 0.84 CPB2 (0.43) PPARGPPARAMMEACEHPGD
SCHEMBL7384644 0.84 PPARG (0.57) PPARGPPARAHPGDALDH1A1CYP1A2
SCHEMBL9227082 0.82 CYP1A2 (0.47) PPARGPPARAMMEACEHPGD
SCHEMBL7318719 0.81 CTNNB1 (0.50) MMEACECYP1A2CYP2C19
SCHEMBL6154521 0.81 CYP1A2 (0.63) PPARAMMECYP1A2CYP3A4CYP2D6
SCHEMBL838961 0.81 CYP1A2 (0.63) PPARAMMECYP1A2CYP3A4CYP2D6
SCHEMBL838962 0.81 CYP1A2 (0.63) PPARAMMECYP1A2CYP3A4CYP2D6

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563153-B1 N-(MERCAPTOALKYL)AMIDES SCHERING CORP (US) 1995-03-15 EP disclosed
EP-0543892-B1 N-(MERCAPTOALKYL)UREAS AND CARBAMATES SCHERING CORP (US) 1994-11-23 EP disclosed
US-5356925-A For cardiovascular and urogenital disorders SCHERING CORPORATION (US) 1994-10-18 US disclosed
US-5262436-A Administering; enzyme inhibitor SCHERING CORPORATION (US) 1993-11-16 US disclosed
EP-0563153-A1 N-(MERCAPTOALKYL)AMIDES. SCHERING CORP (US) 1993-10-06 EP disclosed
US-5232920-A For treating hypertension and congestive heart failure in mammals SCHERING CORPORATION (US) 1993-08-03 US disclosed
US-5219886-A Cardiovascular disorders, analgesics, enzyme inhibitors SCHERING CORPORATION (US) 1993-06-15 US disclosed
EP-0543892-A1 N-(MERCAPTOALKYL)UREAS AND CARBAMATES. SCHERING CORP (US) 1993-06-02 EP disclosed
EP-0393441-B1 MERCAPTO-ACYLAMINO ACIDS SCHERING CORPORATION (US) 1993-05-26 EP disclosed
EP-0518943-A1 MERCAPTOACYL AMINOLACTAM ENDOPEPTIDASE INHIBITORS SCHERING CORPORATION (US) 1992-12-23 EP disclosed
US-5173506-A For treating hypertension, congestive heart failure, edema or urogenital disorders in mammals SCHERING CORPORATION (US) 1992-12-22 US disclosed
WO-1992011235-A1 N-(MERCAPTOALKYL)AMIDES SCHERING CORPORATION (US) 1992-07-09 WO disclosed
WO-1992003410-A1 N-(MERCAPTOALKYL)UREAS AND CARBAMATES SCHERING CORPORATION (US) 1992-03-05 WO disclosed
EP-0467957-A1 MERCAPTO-ACYLAMINO ACIDS SCHERING CORPORATION (US) 1992-01-29 EP disclosed
US-5075302-A Treating hypertension, congestive heart failure SCHERING CORPORATION (US) 1991-12-24 US disclosed
US-5061710-A Atrial natriuretic factors SCHERING CORPORATION (US) 1991-10-29 US disclosed
WO-1991013870-A1 MERCAPTOACYL AMINOLACTAM ENDOPEPTIDASE INHIBITORS SCHERING CORPORATION (US) 1991-09-19 WO disclosed
EP-0393441-A1 Mercapto-acylamino acids SCHERING CORPORATION (US) 1990-10-24 EP disclosed
WO-1990012003-A1 MERCAPTO-ACYLAMINO ACIDS SCHERING CORPORATION (US) 1990-10-18 WO disclosed
US-4929641-A DIURETICS, ANGIOTENSIN CONVERTING ENZYMES SCHERING CORPORATION (US) 1990-05-29 US disclosed