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SCHEMBL2832504

SCHEMBL2832504

CCCCC(CCCOc1c(C(C)(C)C)cc(-c2cc(C(C)(C)C)c(OCCCC(CCCC)C3CO3)c(C(C)(C)C)c2)cc1C(C)(C)C)C1CO1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ GAA P10253 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ RXRA P19793 1/20 0.31
▸ PPARG P37231 1/20 0.31

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
SCHEMBL2835030 0.95 CYP3A4 (0.36) CYP3A4CYP2D6
SCHEMBL2833301 0.91 CYP3A4 (0.37) CYP3A4CYP2D6
SCHEMBL2836300 0.90 RARG (0.30) RXRAPPARG
SCHEMBL2829781 0.90 CYP3A4 (0.35) CYP3A4CYP2D6RXRAPPARG
SCHEMBL2829969 0.90 CYP3A4 (0.35) CYP3A4CYP2D6RXRAPPARG
SCHEMBL2829106 0.90 CYP3A4 (0.35) CYP3A4CYP2D6RXRAPPARG
SCHEMBL2836094 0.89 — —
SCHEMBL2836097 0.88 CNR2 (0.32) —
SCHEMBL2829893 0.85 RARG (0.30) RXRAPPARG
SCHEMBL2831328 0.85 CYP3A4 (0.35) CYP3A4CYP2D6

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