SCHEMBL9200439

SCHEMBL9200439

CCOC(=O)CCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.72
FAAH O00519 10/20 0.62
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 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
SCHEMBL9201368 1.00 PTGIR (0.72) PTGIRFAAHGAAMEN1KMT2A
Water SCHEMBL9198128 0.99 PTGIR (0.71) PTGIRFAAHGAAMEN1KMT2A
SCHEMBL9198234 0.88 PTGIR (0.76) PTGIRFAAHGAAMEN1KMT2A
SCHEMBL9208810 0.88 PTGIR (0.76) PTGIRFAAHGAAMEN1KMT2A
Water SCHEMBL9199653 0.87 PTGIR (0.74) PTGIRFAAHGAAMEN1KMT2A
SCHEMBL9206357 0.84 PTGIR (1.00) PTGIRFAAH
SCHEMBL9198869 0.84 PTGIR (1.00) PTGIRFAAH
SCHEMBL9206363 0.84 PTGIR (1.00) PTGIRFAAH
SCHEMBL9202086 0.84 PTGIR (1.00) PTGIRFAAH
SCHEMBL9200683 0.84 PTGIR (1.00) PTGIRFAAH

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