SCHEMBL6935323

SCHEMBL6935323

COc1cc(-c2noc(C)n2)cc(OC)c1O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 2/20 0.47
SMPD3 Q9NY59 2/20 0.46
MAPT P10636 5/20 0.46
TP53 P04637 2/20 0.44
KDM4E B2RXH2 4/20 0.43
S1PR1 P21453 3/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL14363621 0.81 HTT (0.68) L3MBTL1HTTMAPTTP53KDM4E
SCHEMBL8554106 0.79 L3MBTL1 (0.56) L3MBTL1HTTTP53TSHRNPC1
SCHEMBL8045416 0.79 S1PR1 (0.68) L3MBTL1HTTMAPTS1PR1
SCHEMBL12717346 0.79 MAPT (0.46) L3MBTL1HTTMAPTTP53KDM4E
SCHEMBL30509199 0.76 HTT (0.57) L3MBTL1HTTMAPTKDM4ES1PR1
SCHEMBL428750 0.76 HTT (0.57) L3MBTL1HTTMAPTKDM4ES1PR1
SCHEMBL12266913 0.75 L3MBTL1 (0.57) L3MBTL1HTTMAPTTP53KDM4E
SCHEMBL20116544 0.74 SMN1; SMN2 (0.73) HTTMAPTKDM4ES1PR1HSD17B10
SCHEMBL8977892 0.73 L3MBTL1 (0.50) L3MBTL1HTTTP53TSHRNPC1
SCHEMBL16481858 0.73 L3MBTL1 (0.50) L3MBTL1HTTMAPTKDM4ES1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011114275-A1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-09-22 WO disclosed