SCHEMBL11602095

SCHEMBL11602095

CCCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C(C)C1=C2CC(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 13/20 0.47
▸ CNR1 P21554 9/20 0.47
▸ KDR P35968 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NR1I2 O75469 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32

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
SCHEMBL11737062 0.84 CNR2 (0.67) CNR2CNR1KDRMEN1GAA
SCHEMBL29744991 0.84 CNR2 (0.67) CNR2CNR1KDRMEN1GAA
SCHEMBL11604513 0.83 CNR1 (0.41) CNR2CNR1KDRMEN1GAA
SCHEMBL11758555 0.79 CNR2 (0.54) CNR2CNR1KDRMEN1GAA
SCHEMBL31544855 0.79 CNR2 (0.54) CNR2CNR1KDRMEN1GAA
SCHEMBL11603173 0.79 CNR2 (0.53) CNR2CNR1NR1I2ADORA3SLC6A3
SCHEMBL11742528 0.78 CNR2 (0.44) CNR2CNR1KDRMEN1GAA
SCHEMBL9079211 0.76 CNR2 (0.68) CNR2CNR1KDRMEN1GAA
SCHEMBL31545118 0.75 CNR2 (0.53) CNR2CNR1KDRMEN1GAA
SCHEMBL11794288 0.74 CNR2 (0.41) CNR2CNR1KDRMEN1GAA

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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