SCHEMBL14419416

SCHEMBL14419416

C#Cc1cccc(C(=O)c2cc(Cl)ccc2OCC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 16/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ TDP1 Q9NUW8 2/20 0.49
▸ TSHR P16473 1/20 0.48
▸ MAPT P10636 1/20 0.46

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
SCHEMBL14419420 0.88 PTGDR2 (0.65) PTGDR2CYP2C9
SCHEMBL14419283 0.86 PTGDR2 (0.61) PTGDR2CYP2C9TDP1TSHRMAPT
SCHEMBL14419238 0.86 ALDH1A1 (0.47) PTGDR2TDP1MAPT
SCHEMBL8398940 0.84 PTGDR2 (0.70) PTGDR2TDP1TSHRMAPT
SCHEMBL14419292 0.82 PTGDR2 (0.56) PTGDR2CYP2C9TDP1TSHRMAPT
SCHEMBL14419544 0.82 PTGDR2 (0.68) PTGDR2CYP2C9TDP1TSHRMAPT
SCHEMBL14419280 0.82 PTGDR2 (0.56) PTGDR2CYP2C9TDP1TSHRMAPT
SCHEMBL14419418 0.81 PTGDR2 (0.51) PTGDR2CYP2C9
SCHEMBL9209426 0.80 TDP1 (0.62) PTGDR2TDP1TSHRMAPT
SCHEMBL4627690 0.79 TDP1 (0.70) PTGDR2CYP2C9TDP1TSHRMAPT

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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