SCHEMBL7861967

SCHEMBL7861967

CCOC(=O)C(Cc1cccc(CNC(=O)c2cccc(NC(=O)NCc3ccccc3)c2)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.54
LMNA P02545 3/20 0.53
MAPK1 P28482 1/20 0.53
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
EPHX2 P34913 3/20 0.51
PPARG P37231 3/20 0.51
THRB P10828 1/20 0.50
PKM P14618 1/20 0.48
BCHE P06276 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CASR P41180 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDR P35968 1/20 0.45

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
SCHEMBL7862052 0.89 MAPK1 (0.52) LMNAMAPK1MAPTALDH1A1HPGD
SCHEMBL7861966 0.85 NAMPT (0.55) NAMPTLMNAMAPK1MAPTALDH1A1
SCHEMBL7864170 0.84 EPHX2 (0.47) LMNAMAPK1ALDH1A1HPGDHTT
SCHEMBL7861953 0.83 NAMPT (0.55) NAMPTLMNAMAPK1MAPTALDH1A1
SCHEMBL6773783 0.81 NAMPT (0.52) NAMPTLMNAMAPK1MAPTALDH1A1
SCHEMBL7856448 0.79 PPARG (0.68) LMNAMAPK1MAPTALDH1A1HPGD
SCHEMBL7494300 0.79 SENP1 (0.55) NAMPTLMNAMAPK1MAPTALDH1A1
SCHEMBL7494303 0.79 SENP1 (0.55) NAMPTLMNAMAPK1MAPTALDH1A1
SCHEMBL7861969 0.79 MAPK1 (0.52) LMNAMAPK1MAPTALDH1A1HPGD
SCHEMBL6773780 0.78 NAMPT (0.49) NAMPTLMNAMAPK1MAPTALDH1A1

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