SCHEMBL9101368

SCHEMBL9101368

N#Cc1cccc(/C=C\CCCC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.49
P4HB P07237 12/20 0.48
FBP1 P09467 1/20 0.47
FFAR1 O14842 2/20 0.46
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
TOP1 P11387 1/20 0.42

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
SCHEMBL6795707 0.84 PDCD1 (0.49) P4HBFBP1MAOAMAOBPDCD1
SCHEMBL7429846 0.82 GRIK1 (0.49) TBXAS1P4HBFBP1TOP1
SCHEMBL7429849 0.82 GRIK1 (0.49) TBXAS1P4HBFBP1TOP1
SCHEMBL6795706 0.82 PDCD1 (0.50) P4HBFBP1MAOAMAOBPDCD1
SCHEMBL921088 0.80 FBP1 (0.48) P4HBFBP1PDCD1CD274
SCHEMBL712359 0.80 FBP1 (0.48) P4HBFBP1PDCD1CD274
SCHEMBL712358 0.80 FBP1 (0.48) P4HBFBP1PDCD1CD274
SCHEMBL1363095 0.78 TBXAS1 (0.62) TBXAS1MAOBTOP1
SCHEMBL8798110 0.78 TBXAS1 (0.62) TBXAS1MAOBTOP1
SCHEMBL2379927 0.78 TBXAS1 (0.62) TBXAS1MAOBTOP1

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-5481021-A Phenyl amidines derivatives useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1996-01-02 US disclosed
EP-0574545-B1 PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1994-11-30 EP disclosed
EP-0574545-A1 PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS. SEARLE & CO (US) 1993-12-22 EP disclosed
WO-1992015607-A2 PHENYL AMIDINES DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-09-17 WO disclosed