SCHEMBL2831069

SCHEMBL2831069

CC(OCC1CO1)Oc1c(C(C)C)cc(Cc2cc(C(C)C)c(OC(C)OCC3CO3)c(C(C)C)c2)cc1C(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
MGLL Q99685 2/20 0.31
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
SCHEMBL2829882 0.91 ALDH1A1 (0.32) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL2832844 0.88 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL2836026 0.87 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL2835833 0.83 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL2836412 0.83 TSHR (0.42) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL2833187 0.83 MGLL (0.32) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL2833430 0.82 ALDH1A1 (0.33) ALDH1A1TP53TSHRHIF1A
SCHEMBL2833769 0.79 ALDH1A1 (0.31) ALDH1A1TP53TSHRHIF1A
SCHEMBL2831548 0.78 ALDH1A1 (0.30) ALDH1A1TP53TSHRHIF1A
SCHEMBL2830346 0.78 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2

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