SCHEMBL11739301

SCHEMBL11739301

CCCCCCCCCCCCC(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.48
▸ CNR1 P21554 4/20 0.47
▸ KDR P35968 1/20 0.46
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL11734041 0.88 CNR2 (0.46) CNR2CNR1KDRMEN1GAA
SCHEMBL31546201 0.88 CNR2 (0.46) CNR2CNR1KDRMEN1GAA
SCHEMBL11742241 0.86 CNR2 (0.46) CNR2CNR1KDRMEN1GAA
SCHEMBL11329040 0.86 CNR2 (0.46) CNR2CNR1KDRMEN1GAA
SCHEMBL11332426 0.86 CNR2 (0.46) CNR2CNR1KDRMEN1GAA
SCHEMBL9079211 0.85 CNR2 (0.68) CNR2CNR1KDRMEN1GAA
SCHEMBL11328740 0.85 CNR2 (0.47) CNR2CNR1KDRMEN1GAA
SCHEMBL11738988 0.84 CNR1 (0.42) CNR2CNR1
SCHEMBL11738579 0.82 — —
SCHEMBL31545877 0.82 — —

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-4025630-A Anesthesia methods using benzopyrans and esters thereof as pre-anesthesia medication ABBOTT LABORATORIES (US) 1977-05-24 — — US disclosed
US-3941782-A Heterocyclic esters of benzopyrans SHARPS ASSOCIATES (US) 1976-03-02 — — US disclosed
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