SCHEMBL8499797

SCHEMBL8499797

CCOC(=O)CCc1cccc(C(C)NC(=O)c2cccc(NC(=O)NCc3ccccc3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.49
MAPT P10636 4/20 0.47
THRB P10828 1/20 0.46
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 2/20 0.43
PPID Q08752 1/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CASR P41180 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL8500098 0.89 PPARG (0.50) MAPK1TP53LMNAALDH1A1HPGD
SCHEMBL8497486 0.86 MAPT (0.46) MAPTTP53LMNAALDH1A1NPSR1
SCHEMBL7861953 0.86 NAMPT (0.55) NAMPTMAPTTHRBMAPK1LMNA
SCHEMBL8499211 0.84 LMNA (0.54) NAMPTMAPTTHRBMAPK1LMNA
SCHEMBL8437250 0.84 NAMPT (0.47) NAMPTMAPTTHRBMAPK1TP53
SCHEMBL7372874 0.83 NAMPT (0.57) NAMPTMAPTTHRBMAPK1TP53
SCHEMBL7340251 0.83 MAPT (0.54) NAMPTMAPTTHRBMAPK1LMNA
SCHEMBL7414819 0.81 HSD17B10 (0.50) NAMPTMAPTTP53ALDH1A1NPSR1
SCHEMBL7861966 0.80 NAMPT (0.55) NAMPTMAPTTHRBMAPK1LMNA
SCHEMBL8428817 0.79 PKM (0.50) NAMPTMAPK1TP53LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889877-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1999-01-13 EP claimed
WO-1997036862-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed