SCHEMBL9440564

SCHEMBL9440564

COc1cc(C=CC(=O)OCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 15/20 0.58
ABCG2 Q9UNQ0 14/20 0.58
ABCC1 P33527 9/20 0.58
ALOX5 P09917 1/20 0.51
CA12 O43570 3/20 0.49
CA9 Q16790 3/20 0.49

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
SCHEMBL645500 0.96 ABCB1 (0.56) ABCB1ABCG2ABCC1ALOX5
SCHEMBL9440544 0.91 ABCB1 (0.58) ABCB1ABCG2ABCC1ALOX5CA12
SCHEMBL9119106 0.87 ABCB1 (0.56) ABCB1ABCG2ABCC1ALOX5
SCHEMBL527316 0.82 ABCB1 (0.51) ABCB1ABCG2ABCC1ALOX5
SCHEMBL527317 0.82 ABCB1 (0.51) ABCB1ABCG2ABCC1ALOX5
SCHEMBL21817003 0.82 ABCB1 (0.64) ABCB1ABCG2ABCC1ALOX5
SCHEMBL10610360 0.82 ABCB1 (0.67) ABCB1ABCG2ABCC1ALOX5
SCHEMBL21817002 0.82 ABCB1 (0.64) ABCB1ABCG2ABCC1ALOX5
SCHEMBL10606238 0.82 ABCB1 (0.67) ABCB1ABCG2ABCC1ALOX5
SCHEMBL17459720 0.81 ALOX5 (0.67) ABCB1ABCG2ABCC1ALOX5

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
US-5315022-A Sunscreen SHISEIDO COMPANY LTD. (JP) 1994-05-24 US disclosed