SCHEMBL14419237

SCHEMBL14419237

CCOC(=O)COc1ccc(Cl)cc1C(=O)c1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 5/20 0.55
▸ GAA P10253 2/20 0.49
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ THRB P10828 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 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
SCHEMBL14419282 0.92 MAPT (0.48) PTGDR2GAATP53MAPTLMNA
SCHEMBL14419291 0.90 MAPT (0.49) PTGDR2GAATP53MAPTLMNA
SCHEMBL14419540 0.88 PTGDR2 (0.54) PTGDR2GAATP53MAPTLMNA
SCHEMBL14419325 0.88 HPGD (0.58) PTGDR2GAATP53MAPTLMNA
SCHEMBL14419279 0.88 MAPT (0.47) PTGDR2GAATP53MAPTLMNA
SCHEMBL14419692 0.86 PTGDR2 (0.50) PTGDR2GAATP53MAPTLMNA
SCHEMBL14419546 0.86 PTGDR2 (0.54) PTGDR2GAATP53MAPTLMNA
SCHEMBL14419544 0.86 PTGDR2 (0.68) PTGDR2TP53MAPTTDP1
SCHEMBL14419238 0.85 ALDH1A1 (0.47) PTGDR2GAATP53MAPTLMNA
SCHEMBL14419286 0.85 PTGDR2 (0.45) PTGDR2GAAMAPTLMNAHPGD

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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