SCHEMBL11604513

SCHEMBL11604513

CCCCCC(C)C(C)c1cc(O)c2c(c1)OCC(C)C1=C2CC(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.41
▸ CNR2 P34972 5/20 0.41
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ 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
SCHEMBL11602095 0.83 CNR2 (0.47) CNR1CNR2MEN1GAAKMT2A
SCHEMBL11737062 0.79 CNR2 (0.67) CNR1CNR2MEN1GAAKMT2A
SCHEMBL29744991 0.79 CNR2 (0.67) CNR1CNR2MEN1GAAKMT2A
SCHEMBL11826974 0.75 CNR2 (0.40) CNR1CNR2KDR
SCHEMBL11829169 0.74 CNR2 (0.39) CNR1CNR2KDR
SCHEMBL11834421 0.74 CNR2 (0.39) CNR1CNR2KDR
SCHEMBL11833016 0.74 CNR2 (0.39) CNR1CNR2KDR
SCHEMBL11600487 0.74 CNR1 (0.31) CNR1CNR2KDR
SCHEMBL11758555 0.74 CNR2 (0.54) CNR1CNR2MEN1GAAKMT2A
SCHEMBL31544855 0.74 CNR2 (0.54) CNR1CNR2MEN1GAAKMT2A

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-4092344-A Cyclohexenyl resorcinol derivatives ELI LILLY AND COMPANY (US) 1978-05-30 — — US disclosed
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