SCHEMBL7861966

SCHEMBL7861966

CCOC(=O)CC(c1ccccc1)c1cccc(CNC(=O)c2cccc(NC(=O)NCc3ccccc3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.55
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
THRB P10828 1/20 0.49
CASR P41180 2/20 0.47
PPID Q08752 1/20 0.47
KDR P35968 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ROCK2 O75116 1/20 0.44
SENP2 Q9HC62 1/20 0.43
SENP1 Q9P0U3 1/20 0.43

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
SCHEMBL7864169 0.89 F10 (0.48) NAMPTLMNAMAPK1MAPTALDH1A1
SCHEMBL7861969 0.87 MAPK1 (0.52) LMNAMAPK1MAPTALDH1A1HPGD
SCHEMBL7861967 0.85 NAMPT (0.54) NAMPTLMNAMAPK1MAPTALDH1A1
SCHEMBL6773780 0.84 NAMPT (0.49) NAMPTLMNAMAPK1MAPTALDH1A1
SCHEMBL7861953 0.83 NAMPT (0.55) NAMPTLMNAMAPK1MAPTALDH1A1
SCHEMBL7494303 0.81 SENP1 (0.55) NAMPTLMNAMAPK1MAPTALDH1A1
SCHEMBL7494300 0.81 SENP1 (0.55) NAMPTLMNAMAPK1MAPTALDH1A1
SCHEMBL6779485 0.80 NAMPT (0.50) NAMPTLMNAMAPK1MAPTTHRB
SCHEMBL8499797 0.80 NAMPT (0.49) NAMPTLMNAMAPK1MAPTALDH1A1
SCHEMBL7824024 0.80 GPR139 (0.49) NAMPTLMNAMAPK1MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP claimed
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
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP disclosed
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 disclosed
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 disclosed