SCHEMBL7823335

SCHEMBL7823335

O=C(O)CCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ GAA P10253 2/20 0.53
▸ KMT2A Q03164 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ CYP2C19 P33261 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL7820667 0.89 CA12 (0.53) POLBALDH1A1KMT2ATDP1KDM4E
SCHEMBL25179009 0.81 GAA (0.58) POLBALDH1A1GAAKMT2ATDP1
SCHEMBL7104681 0.81 ALDH1A1 (0.53) POLBALDH1A1GAAKMT2ATDP1
SCHEMBL7109979 0.81 POLB (0.65) POLBALDH1A1GAAKMT2ATDP1
SCHEMBL7822933 0.77 L3MBTL1 (0.71) POLBALDH1A1KMT2AMEN1CYP2C19
SCHEMBL5150800 0.76 HDAC1 (0.74) ALDH1A1KMT2ATDP1KDM4EMEN1
SCHEMBL7291409 0.76 ALDH1A1 (0.54) POLBALDH1A1KMT2AKDM4EMEN1
SCHEMBL7814839 0.76 MEN1 (0.68) POLBALDH1A1GAAKMT2ATDP1
SCHEMBL7719057 0.76 POLB (0.71) POLBALDH1A1GAAKMT2ATDP1
SCHEMBL7827099 0.75 KMT2A (0.64) POLBALDH1A1KMT2ATDP1MEN1

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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