SCHEMBL9100540

SCHEMBL9100540

N#Cc1ccc2cc(OCC(=O)O)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.63
FFAR1 O14842 3/20 0.54
PTGDR2 Q9Y5Y4 3/20 0.54
SLC6A2 P23975 4/20 0.51
SLC6A4 P31645 4/20 0.51
SLC6A3 Q01959 2/20 0.51
ALOX15 P16050 1/20 0.50
PORCN Q9H237 1/20 0.49
HTR3A P46098 1/20 0.49
KCNH2 Q12809 1/20 0.49
MMP2 P08253 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ALK Q9UM73 1/20 0.47

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
SCHEMBL1252411 0.86 FFAR1 (0.65) PTPN7FFAR1PTGDR2ALOX15MMP2
SCHEMBL2346349 0.84 FFAR1 (0.62) PTPN7FFAR1PTGDR2ALOX15MMP2
SCHEMBL4076964 0.84 PTPN7 (0.85) PTPN7FFAR1ALOX15KDM4EMEN1
SCHEMBL8310602 0.84 KDM4E (0.55) PTPN7SLC6A2SLC6A4SLC6A3PORCN
SCHEMBL3190220 0.82 ALOX15 (0.61) PTPN7FFAR1PTGDR2ALOX15
SCHEMBL4284626 0.81 MMP2 (0.71) FFAR1PTGDR2ALOX15MMP2KDM4E
SCHEMBL29367022 0.78 PTPN7 (1.00) PTPN7FFAR1ALOX15KDM4EMEN1
SCHEMBL25640 0.78 PTPN7 (1.00) PTPN7FFAR1ALOX15KDM4EMEN1
SCHEMBL31453936 0.78 ALOX15 (0.53) PTPN7FFAR1PTGDR2ALOX15MMP2
SCHEMBL5867304 0.77 FFAR1 (0.54) PTPN7FFAR1PTGDR2ALOX15MMP2

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