SCHEMBL11811378

SCHEMBL11811378

CCCCCC(C)C(C)c1cc(OC(=O)CCCN2CCOCC2)c2c(c1)OC(C)(C)C1=C2C(C)CCC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.37
▸ CNR2 P34972 4/20 0.37
▸ THRB P10828 2/20 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
Hydrochloric Acid SCHEMBL11812852 0.94 CNR1 (0.38) CNR1CNR2
SCHEMBL11814818 0.91 CNR1 (0.37) CNR1CNR2
Hydrochloric Acid SCHEMBL11809346 0.90 CNR1 (0.38) CNR1CNR2
SCHEMBL11816765 0.88 CNR2 (0.34) CNR1CNR2THRB
Hydrochloric Acid SCHEMBL11817376 0.87 CNR2 (0.34) CNR1CNR2
SCHEMBL11808559 0.86 CNR1 (0.43) CNR1CNR2
Bromide SCHEMBL11736990 0.85 CNR1 (0.43) CNR1CNR2
SCHEMBL11740344 0.85 CNR2 (0.50) CNR1CNR2
SCHEMBL11678811 0.84 CNR1 (0.34) CNR1CNR2THRB
Hydrochloric Acid SCHEMBL11677290 0.84 CNR1 (0.34) CNR1CNR2THRB

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-3941782-A Heterocyclic esters of benzopyrans SHARPS ASSOCIATES (US) 1976-03-02 — — US claimed
US-3941782-A Heterocyclic esters of benzopyrans SHARPS ASSOCIATES (US) 1976-03-02 — — US disclosed
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