SCHEMBL7396264

SCHEMBL7396264

N#Cc1ccccc1CCCCCO

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.39
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ESR2 Q92731 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.35
FAAH O00519 1/20 0.35
GALR3 O60755 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL451478 0.92 CYP19A1 (0.41) CYP19A1FFAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL28248440 0.88 CYP19A1 (0.46) CYP19A1FFAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL536176 0.84 FFAR1 (0.44) CYP19A1FFAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL30129807 0.84 FFAR1 (0.44) CYP19A1FFAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL28248935 0.84 CYP19A1 (0.46) CYP19A1FFAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3629719 0.81 LIPG (0.53) LIPGTSHR
SCHEMBL3164765 0.81 LIPG (0.53) LIPGTSHR
SCHEMBL6956286 0.81 LIPG (0.53) LIPGTSHR
SCHEMBL6952873 0.81 NAAA (0.46) FFAR1MAPTKDM4ETSHRFAAH
SCHEMBL6961355 0.81 NAAA (0.46) FFAR1MAPTKDM4ETSHRFAAH

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-5646183-A Phenyl amidine alkanoic acids useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1997-07-08 US disclosed
US-5612355-A Phenyl amidine lactones useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1997-03-18 US disclosed
US-5504106-A Phenyl amidine alkanoic acids and lactones useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1996-04-02 US disclosed
WO-1994000424-A1 PHENYL AMIDINE ALKANOIC ACIDS AND LACTONES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-06 WO disclosed