SCHEMBL2833431

SCHEMBL2833431

COC(COc1c(C(C)(C)C)cc(Cc2cc(C(C)(C)C)c(OCC(OC)C3CO3)c(C(C)(C)C)c2)cc1C(C)(C)C)C1CO1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.34
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 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
SCHEMBL2835748 0.92 CYP3A4 (0.30) CYP3A4CYP2D6
SCHEMBL2833771 0.88
SCHEMBL2831263 0.86 ALDH1A1 (0.34) CYP3A4CYP2D6
SCHEMBL2831549 0.83 CNR2 (0.31)
SCHEMBL2833482 0.81
SCHEMBL2831070 0.80
SCHEMBL2833188 0.80 DHFR (0.32) DHFR
SCHEMBL2830332 0.78 DHFR (0.31) DHFR
SCHEMBL2830488 0.76 CNR2 (0.31)
SCHEMBL2833565 0.75 ALDH1A1 (0.32)

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