SCHEMBL14419280

SCHEMBL14419280

O=C(O)COc1ccc(Cl)cc1C(=O)c1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 11/20 0.56
▸ TDP1 Q9NUW8 2/20 0.52
▸ TSHR P16473 1/20 0.51
▸ MAPT P10636 2/20 0.49
▸ TP53 P04637 1/20 0.48
▸ FFAR1 O14842 1/20 0.48
▸ PPARG P37231 1/20 0.48
▸ PPARD Q03181 1/20 0.48
▸ CYP2C9 P11712 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LMNA P02545 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
SCHEMBL14419283 0.90 PTGDR2 (0.61) PTGDR2TDP1TSHRMAPTTP53
SCHEMBL14419229 0.88 PTGDR2 (0.57) PTGDR2TDP1TSHRMAPTPKM
SCHEMBL8398940 0.87 PTGDR2 (0.70) PTGDR2TDP1TSHRMAPTTP53
SCHEMBL14419297 0.86 PTGDR2 (0.57) PTGDR2TDP1TSHRMAPTTP53
SCHEMBL14419544 0.85 PTGDR2 (0.68) PTGDR2TDP1TSHRMAPTTP53
SCHEMBL14419292 0.85 PTGDR2 (0.56) PTGDR2TDP1TSHRMAPTTP53
SCHEMBL11541124 0.85 CYP2C9 (0.56) PTGDR2TDP1TSHRMAPTTP53
SCHEMBL14419279 0.85 MAPT (0.47) PTGDR2TDP1TSHRMAPTTP53
SCHEMBL14419301 0.85 PTGDR2 (0.58) PTGDR2TDP1TSHRMAPTFFAR1
SCHEMBL14419287 0.84 PTGDR2 (0.60) PTGDR2TDP1TSHR

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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