SCHEMBL2833736

SCHEMBL2833736

Cc1cc(-c2cc(C)c(OCC3OC3C)c(C)c2)cc(C)c1OCC1OC1C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL21909217 0.90 ALDH1A1 (0.41) ALDH1A1GLAGAAMAPTHPGD
SCHEMBL27782414 0.89 KMT2A (0.35) SCN4AKDM4EALDH1A1GLAMAPT
SCHEMBL2832117 0.85 DHFR (0.32) SCN4A
SCHEMBL2836586 0.85 SCN4A (0.30) SCN4A
SCHEMBL27803965 0.84 PTGS2 (0.32)
SCHEMBL2832145 0.84 TP53 (0.36) ALDH1A1MAPTHPGD
SCHEMBL27804000 0.81 FFAR4 (0.31) ALDH1A1
SCHEMBL2832795 0.78
SCHEMBL15116956 0.77 ALDH1A1 (0.40) ALDH1A1GLAGAAMAPTHPGD
SCHEMBL2836128 0.77 CA1 (0.35)

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