SCHEMBL14419287

SCHEMBL14419287

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

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 13/20 0.60
▸ PTPN1 P18031 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.49
▸ TSHR P16473 1/20 0.48
▸ MPO P05164 1/20 0.47
▸ SRD5A2 P31213 1/20 0.47
▸ VNN1 O95497 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
SCHEMBL14419424 0.89 PTGDR2 (0.59) PTGDR2TDP1TSHR
SCHEMBL14419283 0.86 PTGDR2 (0.61) PTGDR2TDP1TSHR
SCHEMBL14419286 0.86 PTGDR2 (0.45) PTGDR2TDP1MPOVNN1
SCHEMBL13715350 0.85 PTGDR2 (0.55) PTGDR2TDP1TSHRVNN1
SCHEMBL14419414 0.84 PTGDR2 (0.50) PTGDR2TDP1TSHR
SCHEMBL14419280 0.84 PTGDR2 (0.56) PTGDR2TDP1TSHR
SCHEMBL12955466 0.84 PTGDR2 (0.54) PTGDR2TDP1TSHR
SCHEMBL8398940 0.84 PTGDR2 (0.70) PTGDR2TDP1TSHR
SCHEMBL14419412 0.83 PTGDR2 (0.51) PTGDR2TDP1TSHR
SCHEMBL14419284 0.83 POLB (0.51) MPOSRD5A2

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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