SCHEMBL7424844

SCHEMBL7424844

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 6/20 0.42
MMP1 P03956 1/20 0.41
MMP8 P22894 1/20 0.41
MME P08473 3/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BIRC2 Q13490 1/20 0.41
LTA4H P09960 2/20 0.40
CASP3 P42574 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40
ACE P12821 2/20 0.39

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
SCHEMBL7416345 0.94 MME (0.43) CASP1MMP1MMP8MMEALDH1A1
SCHEMBL7419048 0.93 CASP1 (0.46) CASP1MMP1MMEALDH1A1THRB
SCHEMBL7417405 0.91 CASP1 (0.45) CASP1MMEALDH1A1THRBCYP2C9
SCHEMBL7421093 0.89 MME (0.44) CASP1MMP1MMEALDH1A1THRB
SCHEMBL7422100 0.89 CASP1 (0.45) CASP1MMP1MMEALDH1A1THRB
Naphthalene SCHEMBL7422300 0.85 CASP3 (0.40) CASP1CASP3CASP6CASP8
SCHEMBL7465728 0.85 MME (0.44) CASP1MMP1MMEALDH1A1THRB
SCHEMBL7474067 0.84 CASP1 (0.43) CASP1MMP1MMP8MMEALDH1A1
SCHEMBL7414439 0.82 MME (0.43) CASP1MMEALDH1A1THRBCYP2C9
SCHEMBL7417678 0.81 MME (0.46) CASP1MMP1MMEALDH1A1THRB

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