SCHEMBL10411348

SCHEMBL10411348

COC(=O)CCCC(C)(C)c1cc(C(C)=O)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
ESRRA P11474 2/20 0.43
PKM P14618 1/20 0.40
APP P05067 2/20 0.39
HPGD P15428 1/20 0.39
HSP90AA1 P07900 5/20 0.38
HSP90AB1 P08238 4/20 0.38
HTT P42858 1/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
XDH P47989 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
RARA P10276 1/20 0.35

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
SCHEMBL10410408 0.90 CA12 (0.49) CNR1CNR2APPHPGDHSP90AA1
SCHEMBL10410468 0.88 CNR1 (0.45) CNR1CNR2APPHSP90AA1HSP90AB1
SCHEMBL10411866 0.85 PPARA (0.43) CNR1CNR2HPGDHSP90AA1HSP90AB1
SCHEMBL10571810 0.85 CNR1 (0.48) CNR1CNR2APPHPGDHTT
SCHEMBL9442625 0.84 CNR1 (0.59) CNR1CNR2APPTSHR
SCHEMBL9156106 0.84 CNR1 (0.53) CNR1CNR2APPHPGDHTT
SCHEMBL2456562 0.83 CNR1 (0.50) CNR1CNR2APPHPGDHSP90AB1
SCHEMBL9442606 0.83 CNR1 (0.52) CNR1CNR2PKMAPPHPGD
SCHEMBL10825797 0.83 CNR1 (0.46) CNR1CNR2APPHPGDHTT
SCHEMBL10410278 0.83 MAPT (0.49) CNR1CNR2APPHPGDHTT

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
US-4904815-A PHENOLS WITH ESTER, ACID OR AMIDE FUNCTIONAL GROUPS, STABILIZERS FOR AQUEOUS OR ORGANIC SYSTEMS CIBA-GEIGY AG (CH) 1990-02-27 US disclosed
EP-0106799-B1 PHENOLS AND THEIR PREPARATION CIBA-GEIGY AG (CH) 1986-03-19 EP disclosed