SCHEMBL11870050

SCHEMBL11870050

CCCCCC(C)(C)c1cc(Cl)c(O)c(N=O)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 18/20 0.43
▸ CNR1 P21554 16/20 0.43

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
SCHEMBL9070172 0.85 CNR2 (0.51) CNR2CNR1
SCHEMBL11870047 0.80 SHBG (0.40) —
SCHEMBL10947686 0.78 CNR2 (0.46) CNR2CNR1
SCHEMBL9247519 0.78 AKR1C2 (0.49) CNR2CNR1
SCHEMBL11876492 0.76 NPC1 (0.38) CNR2CNR1
SCHEMBL11874404 0.75 VCAM1 (0.35) CNR2CNR1
SCHEMBL10938594 0.72 CNR2 (0.58) CNR2CNR1
SCHEMBL10947945 0.72 CNR2 (0.56) CNR2CNR1
SCHEMBL9769595 0.71 ESR1 (0.46) CNR2CNR1
SCHEMBL767214 0.71 CNR2 (0.53) CNR2CNR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3954936-A COPPER, COBALT, MANGANESE, NICKEL E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-05-04 — — US disclosed
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