SCHEMBL2829962

SCHEMBL2829962

CCc1cc(-c2cc(CC)c(OC(C)OCC3CO3)c(CC)c2)cc(CC)c1OC(C)OCC1CO1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
GLA P06280 1/20 0.30

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
SCHEMBL2831151 0.89 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2TP53CYP3A4TSHR
SCHEMBL2833187 0.89 MGLL (0.32) ALDH1A1SMN1; SMN2TP53CYP3A4TSHR
SCHEMBL2829941 0.86 TSHR (0.40) ALDH1A1TP53TSHRHIF1A
SCHEMBL2829252 0.83 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2TP53CYP3A4TSHR
SCHEMBL2832844 0.82 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2TP53CYP3A4TSHR
SCHEMBL2833470 0.78 TSHR (0.37) ALDH1A1SMN1; SMN2TP53CYP3A4TSHR
SCHEMBL2831807 0.78 TSHR (0.35) ALDH1A1SMN1; SMN2TP53CYP3A4TSHR
SCHEMBL2831306 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TP53CYP3A4TSHR
SCHEMBL2831545 0.77 SRD5A2 (0.37) ALDH1A1SMN1; SMN2TP53CYP3A4TSHR
SCHEMBL2830270 0.75 ADRA2A (0.30)

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