SCHEMBL8690672

SCHEMBL8690672

CCOC(=O)CC[C@H](CCc1ccccc1)N(C(=O)NCc1ccccc1)C(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.42
PPARG P37231 6/20 0.39
EPHX2 P34913 2/20 0.39
ALOX5 P09917 1/20 0.39
PPARA Q07869 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.36
MASP2 O00187 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL8690686 0.79 ALDH1A1 (0.44) ALDH1A1POLB
SCHEMBL21214616 0.70 ALOX5 (0.47) PPIDALOX5SMN1; SMN2CYP4F2CYP4A11
SCHEMBL5496491 0.70 CYP3A4 (0.50) PPIDPOLB
SCHEMBL5496496 0.70 CYP3A4 (0.50) PPIDPOLB
SCHEMBL5020123 0.67 PPID (0.58) PPIDPPARAALDH1A1
SCHEMBL6791114 0.67 MC4R (0.50) SMN1; SMN2ALDH1A1POLB
SCHEMBL6791119 0.67 MC4R (0.50) SMN1; SMN2ALDH1A1POLB
SCHEMBL7257544 0.66 MME (0.50)
SCHEMBL7898943 0.66 NOD2 (0.49) ALDH1A1POLB
SCHEMBL20355756 0.66 MMP8 (0.49) PPIDALOX5SMN1; SMN2CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776718-A Reversible protease inhibitors ARRIS PHARMACEUTICAL CORPORATION (US) 1998-07-07 US disclosed