SCHEMBL14419692

SCHEMBL14419692

CCOC(=O)COc1ccc(Cl)cc1C(=O)c1cc(C)cc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 4/20 0.50
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 3/20 0.46
▸ THRB P10828 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL14419693 0.88 PTGDR2 (0.55) PTGDR2MAPTTDP1TP53
SCHEMBL14419540 0.88 PTGDR2 (0.54) PTGDR2GAAMAPTTHRBALDH1A1
SCHEMBL14419306 0.87 ALDH1A1 (0.50) PTGDR2GAAMAPTTHRBALDH1A1
SCHEMBL14419237 0.86 PTGDR2 (0.55) PTGDR2GAAMAPTTHRBALDH1A1
SCHEMBL14419291 0.85 MAPT (0.49) PTGDR2GAAMAPTTHRBALDH1A1
SCHEMBL14419687 0.85 SLC2A1 (0.46) PTGDR2GAAMAPTTHRBALDH1A1
SCHEMBL14419404 0.84 PTGDR2 (0.53) PTGDR2GAAMAPTTHRBALDH1A1
SCHEMBL14419231 0.84 ALDH1A1 (0.47) PTGDR2GAAMAPTTHRBALDH1A1
SCHEMBL14419325 0.83 HPGD (0.58) PTGDR2GAAMAPTTHRBALDH1A1
SCHEMBL14419282 0.82 MAPT (0.48) PTGDR2GAAMAPTTHRBALDH1A1

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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