SCHEMBL2836744

SCHEMBL2836744

Cc1cc(C(C)(C)c2cc(C)c(OC(C)OCC3CO3)c(C)c2)cc(C)c1OC(C)OCC1CO1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ALDH1A1 P00352 4/20 0.44
TP53 P04637 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP1A2 P05177 1/20 0.44
PPARG P37231 1/20 0.44
MAPK1 P28482 1/20 0.34
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2836412 0.89 TSHR (0.42) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2831259 0.87 TSHR (0.41) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2829252 0.86 ALDH1A1 (0.36) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2829941 0.86 TSHR (0.40) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2833564 0.84 TP53 (0.39) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2836026 0.84 ALDH1A1 (0.34) TSHRALDH1A1TP53HIF1AGLA
SCHEMBL2830346 0.84 ALDH1A1 (0.34) TSHRALDH1A1TP53HIF1AGLA
SCHEMBL2834204 0.83 TP53 (0.38) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2833470 0.78 TSHR (0.37) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2830269 0.78 ALDH1A1 (0.60) TSHRALDH1A1TP53MAPTHPGD

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-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 EP disclosed