SCHEMBL7822933

SCHEMBL7822933

O=C(O)CCCC(=O)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.71
▸ POLB P06746 2/20 0.69
▸ ALDH1A1 P00352 2/20 0.69
▸ CYP2C9 P11712 1/20 0.66
▸ CYP2C19 P33261 1/20 0.66
▸ CYP3A4 P08684 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ EPHX1 P07099 1/20 0.56
▸ EPHX2 P34913 1/20 0.56
▸ HDAC3 O15379 1/20 0.55
▸ EGFR P00533 1/20 0.55
▸ HDAC4 P56524 1/20 0.55
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC7 Q8WUI4 1/20 0.55
▸ HDAC2 Q92769 1/20 0.55
▸ HDAC10 Q969S8 1/20 0.55
▸ HDAC11 Q96DB2 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55

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
SCHEMBL7820017 0.90 CYP3A4 (0.65) L3MBTL1POLBALDH1A1CYP2C9CYP2C19
SCHEMBL15107476 0.90 L3MBTL1 (0.74) L3MBTL1ALDH1A1CYP3A4HPGDMEN1
SCHEMBL7109979 0.88 POLB (0.65) L3MBTL1POLBALDH1A1CYP2C9CYP2C19
SCHEMBL7111208 0.86 ALDH1A1 (0.63) L3MBTL1POLBALDH1A1CYP2C9CYP2C19
SCHEMBL22529434 0.84 L3MBTL1 (0.67) L3MBTL1ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL22529390 0.83 L3MBTL1 (0.62) L3MBTL1ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL7098921 0.83 CYP3A4 (0.69) L3MBTL1ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL9079731 0.83 L3MBTL1 (0.65) L3MBTL1ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL1876366 0.83 L3MBTL1 (0.69) L3MBTL1ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL7107371 0.82 POLB (0.82) L3MBTL1POLBALDH1A1CYP2C9CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
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