SCHEMBL9200438

SCHEMBL9200438

CC(CC/C=C/CCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.60
FAAH O00519 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
TBXAS1 P24557 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CRHBP P24387 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
CNR1 P21554 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
SCHEMBL9200456 1.00 PTGIR (0.60) PTGIRFAAHKDM4ETSHRHSD17B10
SCHEMBL9210200 0.89 PTGIR (0.68) PTGIRFAAHKDM4ETSHRHSD17B10
SCHEMBL9771296 0.84 PTGIR (0.82) PTGIRKDM4ETSHRHSD17B10
SCHEMBL9208867 0.84 PTGIR (0.82) PTGIRKDM4ETSHRHSD17B10
Water SCHEMBL9208617 0.83 PTGIR (0.80) PTGIRKDM4ETSHRHSD17B10
Water SCHEMBL9208608 0.83 PTGIR (0.80) PTGIRKDM4ETSHRHSD17B10
SCHEMBL9200454 0.81 PTGIR (0.64) PTGIRFAAHKDM4ETSHRHSD17B10
SCHEMBL9200446 0.81 PTGIR (0.64) PTGIRFAAHKDM4ETSHRHSD17B10
SCHEMBL9206039 0.79 PTGIR (0.77) PTGIRKDM4ETSHRHSD17B10MEN1
SCHEMBL9206426 0.79 PTGIR (0.77) PTGIRKDM4ETSHRHSD17B10MEN1

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