SCHEMBL7861961

SCHEMBL7861961

CCOC(=O)CCc1cccc(CNC(=O)c2cccc(NC(N)=O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 4/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 4/20 0.47
MAPK1 P28482 2/20 0.47
BCHE P06276 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
PPARG P37231 1/20 0.45
MMP13 P45452 1/20 0.45
EPHX2 P34913 1/20 0.45
NAMPT P43490 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ROCK2 O75116 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 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
SCHEMBL7856500 0.92 SENP1 (0.48) SENP1MAPTLMNAMAPK1BCHE
SCHEMBL8497478 0.92 LMNA (0.53) MAPTLMNAALDH1A1HPGDMEN1
SCHEMBL7861953 0.88 NAMPT (0.55) SENP1MAPTLMNAMAPK1ALDH1A1
SCHEMBL7380693 0.85 F10 (0.51) LMNAHPGDPPARGMMP13EPHX2
SCHEMBL7380170 0.85 PPARG (0.62) SENP1MAPTLMNAMAPK1BCHE
SCHEMBL7862050 0.84 PPARG (0.44) SENP1MAPTLMNAMAPK1BCHE
SCHEMBL7377053 0.84 KMT2A (0.53) MAPTLMNAMAPK1ALDH1A1HTT
SCHEMBL7862004 0.83 MMP13 (0.47) SENP1LMNAHPGDPPARGMMP13
SCHEMBL7862007 0.83 MMP13 (0.47) SENP1LMNAHPGDPPARGMMP13
SCHEMBL8497486 0.82 MAPT (0.46) MAPTLMNAALDH1A1HPGDMEN1

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