SCHEMBL7822146

SCHEMBL7822146

COc1c(C=CC(=O)O)ccc2c1OCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
AR P10275 1/20 0.45
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
NFE2L2 Q16236 2/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
MAOB P27338 2/20 0.41
HTR1A P08908 1/20 0.40
HPGD P15428 1/20 0.40
HTR2C P28335 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL29286021 0.82 MAPT (0.60) KDM4EALDH1A1NPC1RAB9ALMNA
SCHEMBL8488782 0.81 LMNA (0.51) ALDH1A1LMNAMAPTHSD17B10CYP1A2
SCHEMBL5859861 0.78 KDM4E (0.50) KDM4EARNPC1RAB9AMAPT
SCHEMBL5859863 0.78 KDM4E (0.50) KDM4EARNPC1RAB9AMAPT
SCHEMBL6852630 0.78 ABCG2 (0.57) KDM4EALDH1A1NPC1RAB9ALMNA
SCHEMBL6852627 0.78 ABCG2 (0.57) KDM4EALDH1A1NPC1RAB9ALMNA
SCHEMBL9786077 0.78 KDM4E (0.47) KDM4EARHSD17B10CYP1A2MAOB
SCHEMBL9786078 0.78 KDM4E (0.47) KDM4EARHSD17B10CYP1A2MAOB
SCHEMBL6851140 0.77 KDM4E (0.57) KDM4EARMAPTHSD17B10CYP1A2
SCHEMBL8726252 0.77 KDM4E (0.57) KDM4EARMAPTHSD17B10CYP1A2

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