SCHEMBL7440530

SCHEMBL7440530

CCOC(=O)C(C)(CC(C)C)P(=O)(CSc1ccccc1)OCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.39
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 1/20 0.36
PIN1 Q13526 1/20 0.36
POLB P06746 2/20 0.36
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL7438535 0.89 EPHX2 (0.37) MMP8ALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL7049724 0.81 PRNP (0.50) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL8181479 0.73 MTNR1A (0.38) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL8530430 0.71 ALDH1A1 (0.38) MMP8ALDH1A1MAPTHPGDPIN1
SCHEMBL7440992 0.70 MMP8 (0.43) MMP8ALDH1A1MAPTKMT2A
SCHEMBL7049694 0.69 HSD17B10 (0.50) MMP8KCNH2ALDH1A1MAPTHPGD
SCHEMBL27332632 0.68 POLB (0.39) MMP8ALDH1A1MAPTHPGDPIN1
SCHEMBL7049701 0.67 ALDH1A1 (0.36) MMP8ALDH1A1MAPTHPGDPIN1
SCHEMBL1331369 0.67 KCNH2 (0.58) KCNH2ALDH1A1MAPTHPGDPOLB
SCHEMBL722868 0.67 KCNH2 (0.58) KCNH2ALDH1A1MAPTHPGDPOLB

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