SCHEMBL14419286

SCHEMBL14419286

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 3/20 0.45
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 1/20 0.43
▸ VNN1 O95497 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ DDR1 Q08345 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ LTC4S Q16873 1/20 0.42
▸ RHOC P08134 1/20 0.41
▸ RHOA P61586 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
SCHEMBL14419423 0.90 GAA (0.46) PTGDR2HPGDALDH1A1GAAMAPT
SCHEMBL14419282 0.88 MAPT (0.48) PTGDR2HPGDALDH1A1GAAMAPT
SCHEMBL14419413 0.86 P2RX1 (0.42) PTGDR2HPGDALDH1A1GAAMAPT
SCHEMBL14419279 0.86 MAPT (0.47) PTGDR2HPGDALDH1A1GAAMAPT
SCHEMBL14419287 0.86 PTGDR2 (0.60) PTGDR2VNN1TDP1MPO
SCHEMBL14419291 0.86 MAPT (0.49) PTGDR2HPGDALDH1A1GAAMAPT
SCHEMBL14419411 0.85 GAA (0.41) PTGDR2HPGDALDH1A1GAAMAPT
SCHEMBL14419237 0.85 PTGDR2 (0.55) PTGDR2HPGDALDH1A1GAAMAPT
SCHEMBL14419325 0.84 HPGD (0.58) PTGDR2HPGDALDH1A1GAAMAPT
SCHEMBL14419300 0.81 MAPT (0.47) PTGDR2HPGDALDH1A1GAAMAPT

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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