SCHEMBL8499211

SCHEMBL8499211

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
NAMPT P43490 3/20 0.53
MAPT P10636 4/20 0.51
THRB P10828 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ROCK2 O75116 1/20 0.49
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
PPID Q08752 1/20 0.47
SENP1 Q9P0U3 1/20 0.46

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
SCHEMBL7861953 0.94 NAMPT (0.55) LMNANAMPTMAPTTHRBALDH1A1
SCHEMBL7340251 0.89 MAPT (0.54) LMNANAMPTMAPTTHRBALDH1A1
SCHEMBL7372874 0.87 NAMPT (0.57) LMNANAMPTMAPTTHRBALDH1A1
SCHEMBL8500095 0.87 PPARG (0.59) LMNANAMPTMAPTALDH1A1MAPK1
SCHEMBL8497478 0.86 LMNA (0.53) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL7414814 0.85 ALDH1A1 (0.55) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL7837395 0.85 NAMPT (0.53) LMNANAMPTMAPTTHRBALDH1A1
SCHEMBL8437247 0.84 LMNA (0.50) LMNANAMPTMAPTTHRBALDH1A1
SCHEMBL8499797 0.84 NAMPT (0.49) LMNANAMPTMAPTTHRBALDH1A1
SCHEMBL7861961 0.82 SENP1 (0.49) LMNANAMPTMAPTALDH1A1MAPK1

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