SCHEMBL7465728

SCHEMBL7465728

CC(CS(=O)(=O)c1ccccc1)C(=O)NC(CC(=O)O)C(=O)COC(=O)C(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CASP1 P29466 9/20 0.43
LTA4H P09960 2/20 0.43
BIRC2 Q13490 1/20 0.43
CASP3 P42574 2/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
MMP1 P03956 1/20 0.40
FCER2 P06734 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
SCHEMBL7422100 0.90 CASP1 (0.45) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL7421093 0.88 MME (0.44) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL7417405 0.86 CASP1 (0.45) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL7416345 0.86 MME (0.43) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL7419048 0.85 CASP1 (0.46) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL7424844 0.85 CASP1 (0.42) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL7417678 0.85 MME (0.46) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL7411505 0.81 MME (0.45) MMEALDH1A1THRBCYP2C9CYP2C19
SCHEMBL7419759 0.81 ACE (0.50) CASP1CASP3CASP8
SCHEMBL7422536 0.81 CASP1 (0.52) MMEALDH1A1THRBCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0932598-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-08-04 EP claimed
WO-1998016502-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1998-04-23 WO claimed
WO-2001019373-A2 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed
EP-0998300-A1 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
EP-0932598-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1999-08-04 EP disclosed
WO-1998041232-A2 COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed
WO-1998016502-A1 ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME WARNER-LAMBERT COMPANY (US) 1998-04-23 WO disclosed