SCHEMBL14419418

SCHEMBL14419418

O=C(O)COc1ccc(Cl)cc1C(=O)c1cccc(C#CC2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 20/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ PTGDR Q13258 3/20 0.48
▸ PTGER2 P43116 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
SCHEMBL14419417 0.88 ALDH1A1 (0.41) PTGDR2CYP2C9PTGDR
SCHEMBL14419420 0.85 PTGDR2 (0.65) PTGDR2CYP2C9
SCHEMBL14419416 0.81 PTGDR2 (0.53) PTGDR2CYP2C9
SCHEMBL14419283 0.79 PTGDR2 (0.61) PTGDR2CYP2C9PTGDR
SCHEMBL8398940 0.77 PTGDR2 (0.70) PTGDR2PTGDR
SCHEMBL14419280 0.75 PTGDR2 (0.56) PTGDR2CYP2C9
SCHEMBL14419292 0.75 PTGDR2 (0.56) PTGDR2CYP2C9
SCHEMBL14419544 0.75 PTGDR2 (0.68) PTGDR2CYP2C9
SCHEMBL14419419 0.74 PTGDR2 (0.50) PTGDR2CYP2C9
SCHEMBL9209426 0.73 TDP1 (0.62) PTGDR2PTGDRPTGER2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273863-B1 Benzophenones as inhibitors of reverse transcriptase SMITHKLINE BEECHAM CORPORATION (US) 2007-09-25 — — US disclosed
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