SCHEMBL9204656

SCHEMBL9204656

COC(=O)CCCC=CCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.60
FAAH O00519 3/20 0.47
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 2/20 0.41
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
TBXA2R P21731 1/20 0.39

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
SCHEMBL9206462 1.00 PTGIR (0.60) PTGIRFAAHKMT2ALMNAKDM4E
SCHEMBL9200454 0.96 PTGIR (0.64) PTGIRFAAHKMT2ALMNAKDM4E
SCHEMBL9200446 0.96 PTGIR (0.64) PTGIRFAAHKMT2ALMNAKDM4E
SCHEMBL9208810 0.89 PTGIR (0.76) PTGIRFAAHKMT2ALMNAKDM4E
SCHEMBL9198234 0.89 PTGIR (0.76) PTGIRFAAHKMT2ALMNAKDM4E
Water SCHEMBL9199653 0.88 PTGIR (0.74) PTGIRFAAHKMT2ALMNAKDM4E
SCHEMBL9206426 0.88 PTGIR (0.77) PTGIRKMT2AKDM4ETSHRMEN1
SCHEMBL9206039 0.88 PTGIR (0.77) PTGIRKMT2AKDM4ETSHRMEN1
Water SCHEMBL9200430 0.86 PTGIR (0.76) PTGIRKMT2AKDM4ETSHRMEN1
Water SCHEMBL9200450 0.86 PTGIR (0.76) PTGIRKMT2AKDM4ETSHRMEN1

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
EP-0417449-B1 Arylpyrazole derivatives as platelet aggregation inhibitors BRISTOL MYERS SQUIBB CO (US) 1995-02-15 EP disclosed
US-5071866-A Arylpyrazole derivatives as anti-platelet agents BRISTOL-MYERS SQUIBB COMPANY (US) 1991-12-10 US disclosed
EP-0417449-A1 Arylpyrazole derivatives as platelet aggregation inhibitors Bristol-Myers Squibb Company (US) 1991-03-20 EP disclosed
US-4994482-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1991-02-19 US disclosed