SCHEMBL7823623

SCHEMBL7823623

COc1cccc2c1C(=O)CC2C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLL Q9UGP5 1/20 0.55
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
EDNRB P24530 1/20 0.43
EDNRA P25101 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PKM P14618 1/20 0.41
FABP5 Q01469 2/20 0.40
FABP7 O15540 1/20 0.40
FABP3 P05413 1/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 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
SCHEMBL28808431 0.80 ALDH1A1 (0.44) ALDH1A1EDNRBEDNRAMAPTHTR2A
SCHEMBL28829408 0.76 ALDH1A1 (0.44) ALDH1A1EDNRBEDNRACA1CA2
SCHEMBL13938126 0.76 ACHE (0.45) POLLALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27881140 0.72 KDM4E (0.57) ALDH1A1KDM4EHPGDCA1CA2
SCHEMBL6504577 0.71 CYP1A2 (0.50) POLLALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20478665 0.71 PIN1 (0.52) POLLKDM4ECA1CA2POLB
SCHEMBL1847083 0.71 PIN1 (0.52) POLLKDM4ECA1CA2POLB
SCHEMBL20480675 0.71 PSMB5 (0.47) POLLALDH1A1KDM4EHPGDHSD17B10
Nodulisporone SCHEMBL29991198 0.71 POLL (1.00) POLLALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7154204 0.71 WDR5 (0.45) ALDH1A1KDM4EEDNRBEDNRAMAPT

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