SCHEMBL11601057

SCHEMBL11601057

CCCCCCCc1cc(OCc2ccccc2)c(C2=C(C(C)(C)C(=O)OCC)CCC(C)C2)c(OCc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 5/20 0.41
▸ PPARG P37231 4/20 0.41
▸ CNR2 P34972 4/20 0.37
▸ CNR1 P21554 2/20 0.37
▸ ACE2 Q9BYF1 1/20 0.35
▸ APP P05067 1/20 0.34

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
SCHEMBL11602110 0.90 CNR2 (0.38) PPARAPPARGCNR2CNR1
SCHEMBL11603157 0.83 CNR2 (0.48) PPARAPPARGCNR2CNR1ACE2
SCHEMBL11601047 0.81 PPARA (0.38) PPARAPPARGCNR2CNR1
SCHEMBL11601825 0.80 CNR1 (0.42) CNR2CNR1
SCHEMBL11602062 0.79 CNR1 (0.43) CNR2CNR1ACE2
SCHEMBL11599822 0.77 CNR1 (0.41) CNR2CNR1
SCHEMBL11602977 0.77 CNR1 (0.41) CNR2CNR1
SCHEMBL11602369 0.74 CNR1 (0.39) CNR2CNR1
SCHEMBL11601904 0.72 CNR2 (0.44) CNR2CNR1
SCHEMBL11601480 0.72 CNR2 (0.44) 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-4092344-A Cyclohexenyl resorcinol derivatives ELI LILLY AND COMPANY (US) 1978-05-30 — — US disclosed
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