SCHEMBL11813384

SCHEMBL11813384

CCCCCC(C)C(C)c1cc(O)c2c(c1)OCC1=C2CCCC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.31
▸ CNR1 P21554 2/20 0.31
▸ KDR P35968 1/20 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
SCHEMBL11742241 0.81 CNR2 (0.46) CNR2CNR1KDR
SCHEMBL31546201 0.79 CNR2 (0.46) CNR2CNR1KDR
SCHEMBL11734041 0.79 CNR2 (0.46) CNR2CNR1KDR
SCHEMBL11815271 0.79 DRD4 (0.33) —
SCHEMBL11778876 0.78 CNR2 (0.37) CNR2CNR1KDR
SCHEMBL31546195 0.77 CNR2 (0.50) CNR2CNR1
SCHEMBL11832077 0.75 KDR (0.31) KDR
Tinabinol SCHEMBL29538185 0.74 CNR2 (0.39) CNR2CNR1KDR
SCHEMBL11743076 0.74 CNR2 (0.38) CNR2CNR1KDR
Tinabinol SCHEMBL122290 0.74 CNR2 (0.39) CNR2CNR1KDR

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 disclosed
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