SCHEMBL11219002

SCHEMBL11219002

CCCCCCCOc1ccc(OC(=O)/C=C/c2ccc(F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.57
MAOB P27338 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
APP P05067 3/20 0.49

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
SCHEMBL11219001 1.00 FAAH (0.57) FAAHMAOBABCG2MEN1KMT2A
SCHEMBL11215372 0.91 MAOB (0.58) FAAHMAOBABCG2MEN1KMT2A
SCHEMBL11215369 0.91 MAOB (0.58) FAAHMAOBABCG2MEN1KMT2A
SCHEMBL13415590 0.88 ABCG2 (0.54) ABCG2APP
SCHEMBL14275336 0.87 THRB (0.56) ABCG2APP
SCHEMBL5172283 0.87 ABCG2 (0.70) MAOBABCG2MEN1KMT2AAPP
SCHEMBL5172278 0.87 ABCG2 (0.70) MAOBABCG2MEN1KMT2AAPP
SCHEMBL11668161 0.85 TP53 (0.68) ABCG2
SCHEMBL13390082 0.84 APP (0.55) ABCG2APP
SCHEMBL11851096 0.84 APP (0.67) ABCG2APP

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
JP-57120550-A None JP disclosed
JP-S57120550-A 4-FLUOROCINNAMIC ACID 4'-SUBSTITUTED PHENYL ESTER CHISSO CORP 1982-07-27 JP disclosed