SCHEMBL6935732

SCHEMBL6935732

O=C([O-])C1CCCCC1.O=C([O-])C1CCCCC1.[Cu+2]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
HSD11B1 P28845 2/20 0.39
EPHX1 P07099 6/20 0.38
RECQL P46063 1/20 0.38
HSD11B2 P80365 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL28411746 0.97 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6914870 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL5079485 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL8374916 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL23530251 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL25267333 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6908748 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL11608975 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL4439197 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6908797 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025124407-A1 PYRAZOLE-SUBSTITUTED ARYL SULFIDE COMPOUND AND USE THEREOF 青岛清原化合物有限公司 2025-06-19 WO disclosed
US-20030232906-A1 Stabilized coating compositions containing isothiazolone GHOSH TIRTHANKAR (US) 2003-12-18 US disclosed
EP-1369461-A1 Stabilized coating compositions containing isothiazolone ROHM AND HAAS COMPANY (US) 2003-12-10 EP disclosed
CN-1117091-A Electrosynthesis of metal carboxylates HULS AMERICA INC (US) 1996-02-21 CN disclosed