SCHEMBL7820923

SCHEMBL7820923

Cc1ccc(C(CC(=O)c2ccc(Cl)c(Cl)c2)C(=O)O)cc1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.72
KMO O15229 4/20 0.58
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPK9 P45984 1/20 0.47

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
SCHEMBL7826503 0.89 POLB (0.69) POLBKMOCYP2C9CYP2C19KMT2A
SCHEMBL728115 0.87 KMO (0.63) POLBKMOKMT2A
SCHEMBL3678017 0.87 KMO (0.63) POLBKMOKMT2A
SCHEMBL3678015 0.87 KMO (0.63) POLBKMOKMT2A
SCHEMBL7822144 0.84 POLB (1.00) POLBCYP2C9CYP2C19KMT2AL3MBTL1
SCHEMBL436605 0.79 KMO (0.56) POLBKMOKMT2A
SCHEMBL19642672 0.77 KMO (0.75) KMO
SCHEMBL3671148 0.76 KMO (0.69) KMO
SCHEMBL3671146 0.76 KMO (0.69) KMO
SCHEMBL727035 0.76 KMO (0.69) KMO

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