SCHEMBL8854965

SCHEMBL8854965

CON(C)C(=O)C/C=C/c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.58
MAOB P27338 3/20 0.49
ALOX5 P09917 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOA P21397 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GLA P06280 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL8854975 1.00 PAM (0.58) PAMMAOBALOX5MEN1KMT2A
SCHEMBL23064569 0.84 PAM (0.63) PAMMAOBALOX5MEN1KMT2A
SCHEMBL2435015 0.84 GSK3B (0.53) MAOBALOX5NPC1ALDH1A1
SCHEMBL2435018 0.84 GSK3B (0.53) MAOBALOX5NPC1ALDH1A1
SCHEMBL2877458 0.77 CYP4F2 (0.64) PAMMAOBMEN1KMT2AMAOA
SCHEMBL2877454 0.77 CYP4F2 (0.64) PAMMAOBMEN1KMT2AMAOA
SCHEMBL10891880 0.76 PAM (0.61) PAMMAOBMEN1KMT2AMAOA
SCHEMBL10891882 0.76 PAM (0.61) PAMMAOBMEN1KMT2AMAOA
SCHEMBL22024170 0.75 NPC1 (0.61) MAOBALOX5MEN1KMT2ANPC1
SCHEMBL7373222 0.75 NPC1 (0.61) MAOBALOX5MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599952-A A 4-FLUOROBIPHENYL DERIVATIVE FUJIREBIO INC. (JP) 1997-02-04 US disclosed
US-5481009-A Methods of producing carboxylic acid ester derivatives and intermediates for use in the methods FUJIREBIO INC. (JP) 1996-01-02 US disclosed
EP-0643054-A2 Methods of producing carboxylic acid ester derivatives and intermediates for use in the methods FUJIREBIO Inc. (JP) 1995-03-15 EP disclosed
EP-0633242-A1 Heptanoate derivatives FUJIREBIO Inc. (JP) 1995-01-11 EP disclosed