SCHEMBL7438544

SCHEMBL7438544

CCOC(=O)C(C)(OCC)C(C(C)C)[PH](=O)CSc1ccc2ccccc2c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.36
CNR2 P34972 1/20 0.35
ANPEP P15144 1/20 0.34
EPHX1 P07099 1/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAOB P27338 1/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.33
PRNP P04156 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
CAPN1 P07384 1/20 0.32
CTSB P07858 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
SCHEMBL7440533 0.88 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL7049726 0.83 PRNP (0.50) ALDH1A1MAPTPRNPRXFP1LMNA
SCHEMBL7437234 0.83 ALDH1A1 (0.35) ALDH1A1MAPTPRNPRXFP1LMNA
SCHEMBL7441938 0.77 ANPEP (0.39) CNR2ANPEPEPHX1GAAALDH1A1
SCHEMBL8529953 0.76 ANPEP (0.36) CYP26A1CNR2ANPEPEPHX1GAA
SCHEMBL7050118 0.75 ALDH1A1 (0.34) CYP26A1CNR2ANPEPEPHX1GAA
SCHEMBL1464952 0.71 GAA (0.45) CYP26A1CNR2ANPEPEPHX1GAA
SCHEMBL7049835 0.71 ALDH1A1 (0.38) CNR2ANPEPGAAALDH1A1CYP3A4
SCHEMBL7049141 0.69 ALDH1A1 (0.34) CNR2ANPEPGAAALDH1A1CYP2C9
SCHEMBL8529950 0.69 PRNP (0.40) CNR2ANPEPEPHX1GAAALDH1A1

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