SCHEMBL11816771

SCHEMBL11816771

CCCCCC(C)CCc1cc(OC(=O)CCCN2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.40
▸ CNR1 P21554 3/20 0.40
▸ THRA P10827 1/20 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 SCHEMBL11817382 0.99 CNR2 (0.40) CNR2CNR1THRATHRB
SCHEMBL11812565 0.95 CNR2 (0.42) CNR2CNR1
Hydrochloric Acid SCHEMBL11735169 0.94 CNR2 (0.41) CNR2CNR1
SCHEMBL11811092 0.94 CNR2 (0.41) CNR2CNR1
Hydrochloric Acid SCHEMBL11809333 0.93 CNR2 (0.41) CNR2CNR1
SCHEMBL11814326 0.92 CNR2 (0.47) CNR2CNR1THRATHRB
SCHEMBL11810951 0.92 CNR2 (0.40) CNR2CNR1
SCHEMBL11733008 0.92 CNR2 (0.41) CNR2CNR1
Hydrochloric Acid SCHEMBL11775952 0.92 CNR2 (0.46) CNR2CNR1THRATHRB
Hydrochloric Acid SCHEMBL11813313 0.91 CNR2 (0.39) 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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