SCHEMBL11816765

SCHEMBL11816765

CCCCCC(C)C(C)c1cc(OC(=O)CCCN2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCC1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.34
▸ CNR1 P21554 3/20 0.33
▸ THRB P10828 1/20 0.33

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
Hydrochloric Acid SCHEMBL11817376 0.99 CNR2 (0.34) CNR2CNR1
SCHEMBL11812559 0.95 CNR2 (0.35) CNR2CNR1
Hydrochloric Acid SCHEMBL11735161 0.94 CNR2 (0.34) CNR2CNR1
SCHEMBL11811080 0.94 CNR2 (0.34) CNR2CNR1
SCHEMBL11817527 0.94 CNR2 (0.34) CNR2CNR1
Hydrochloric Acid SCHEMBL11809325 0.93 CNR2 (0.34) CNR2CNR1
Hydrochloric Acid SCHEMBL11376551 0.93 CNR2 (0.34) CNR2CNR1
SCHEMBL11810940 0.92 CNR2 (0.33) CNR2CNR1
SCHEMBL11733001 0.92 CNR2 (0.34) CNR2CNR1
Hydrochloric Acid SCHEMBL11813307 0.91 CNR2 (0.33) 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-3941782-A Heterocyclic esters of benzopyrans SHARPS ASSOCIATES (US) 1976-03-02 — — US claimed
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