SCHEMBL2829781

SCHEMBL2829781

CCCCC(CCCOc1c(C(C)(C)C)cc(CCc2cc(C(C)(C)C)c(OCCCC(CCCC)C3CO3)c(C(C)(C)C)c2)cc1C(C)(C)C)C1CO1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
RXRA P19793 1/20 0.30
PPARG P37231 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
SCHEMBL2831328 0.95 CYP3A4 (0.35) CYP3A4CYP2D6
SCHEMBL2829969 0.93 CYP3A4 (0.35) CYP3A4CYP2D6RXRAPPARG
SCHEMBL2831095 0.91 CYP3A4 (0.36) CYP3A4CYP2D6
SCHEMBL2829832 0.91
SCHEMBL2832504 0.90 CYP3A4 (0.36) CYP3A4CYP2D6RXRAPPARG
SCHEMBL2829268 0.90
SCHEMBL2829271 0.89
SCHEMBL2829106 0.88 CYP3A4 (0.35) CYP3A4CYP2D6RXRAPPARG
SCHEMBL2831159 0.88 CYP3A4 (0.35) CYP3A4CYP2D6
SCHEMBL2830467 0.86

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