SCHEMBL7438535

SCHEMBL7438535

CCOC(=O)C(C)(CC(C)C)P(=O)(CSc1ccc2ccccc2c1)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
GAA P10253 3/20 0.37
CYP26A1 O43174 1/20 0.36
MMP8 P22894 1/20 0.36
ANPEP P15144 1/20 0.35
EPHX1 P07099 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CAPN1 P07384 1/20 0.34
CTSB P07858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
GLA P06280 1/20 0.33
PRNP P04156 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL7440530 0.89 MMP8 (0.39) MMP8ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL7049724 0.84 PRNP (0.50) ALDH1A1RAB9ASMN1; SMN2MAPTPRNP
SCHEMBL7437225 0.84 HPGD (0.37) EPHX2MMP8ALDH1A1CNR2MAPT
SCHEMBL8186999 0.76 CAPN1 (0.40) GAAANPEPEPHX1CYP3A4CYP2C9
SCHEMBL8529953 0.74 ANPEP (0.36) GAACYP26A1MMP8ANPEPEPHX1
SCHEMBL7050113 0.74 HSD17B10 (0.44) EPHX2GAAANPEPEPHX1CYP3A4
SCHEMBL7050118 0.71 ALDH1A1 (0.34) GAACYP26A1ANPEPEPHX1CYP3A4
SCHEMBL7050333 0.70 PPARG (0.39) EPHX2GAAANPEPEPHX1CYP3A4
SCHEMBL7049822 0.69 PPARG (0.43) EPHX2GAAMMP8ANPEPALDH1A1
SCHEMBL1464952 0.69 GAA (0.45) GAACYP26A1MMP8ANPEPEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013792-A INTERSTITIAL COLLAGENASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIOSTEOPOROSIS AGENTS SYNTEX (U.S.A.), INC. (US) 2000-01-11 US disclosed
EP-0712403-B1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1997-09-10 EP disclosed
WO-1996023791-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-08-08 WO disclosed
EP-0712403-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1996-05-22 EP disclosed
WO-1995004735-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-02-16 WO disclosed