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SCHEMBL2833301

SCHEMBL2833301

CCC(CCCOc1c(C(C)(C)C)cc(-c2cc(C(C)(C)C)c(OCCCC(CC)C3CO3)c(C(C)(C)C)c2)cc1C(C)(C)C)C1CO1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL2832504 0.91 CYP3A4 (0.36) CYP3A4CYP2D6
SCHEMBL2835030 0.91 CYP3A4 (0.36) CYP3A4CYP2D6
SCHEMBL2834161 0.90 CYP3A4 (0.36) CYP3A4CYP2D6
SCHEMBL2831095 0.90 CYP3A4 (0.36) CYP3A4CYP2D6
SCHEMBL2831724 0.90 — —
SCHEMBL2831456 0.90 CYP3A4 (0.36) CYP3A4CYP2D6
SCHEMBL2829911 0.89 — —
SCHEMBL2829912 0.86 CNR2 (0.32) —
SCHEMBL2836817 0.84 CYP3A4 (0.41) CYP3A4CYP2D6
SCHEMBL2832943 0.82 HTR1A (0.32) 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