SCHEMBL2831084

SCHEMBL2831084

CCCCCC(C)(C)c1cc(C(C)(C)c2cc(C(C)(C)CCCCC)c(OCCCC(C)C3CO3)c(C(C)(C)CCCCC)c2)cc(C(C)(C)CCCCC)c1OCCCC(C)C1CO1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.33
CNR1 P21554 16/20 0.33
TRPV1 Q8NER1 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
SCHEMBL2831117 0.91 CNR2 (0.33) CNR2CNR1
SCHEMBL2831570 0.90 CNR1 (0.32) CNR2CNR1TRPV1
SCHEMBL2835815 0.90 PPARG (0.32)
SCHEMBL2832811 0.89 CNR1 (0.32) CNR2CNR1
SCHEMBL2831074 0.89 CNR2 (0.32) CNR2CNR1
SCHEMBL2832788 0.89 CNR1 (0.30) CNR2CNR1
SCHEMBL2830479 0.89 CNR1 (0.30) CNR2CNR1
SCHEMBL2831082 0.87 CYP3A4 (0.30)
SCHEMBL2829886 0.86 CYP3A4 (0.40)
SCHEMBL2833403 0.82 ALDH1A1 (0.40) CNR2CNR1TRPV1

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