SCHEMBL11599822

SCHEMBL11599822

CCCCCc1cc(OCc2ccccc2)c(C2=C(CBr)CCC(C)C2)c(OCc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.41
▸ CNR2 P34972 4/20 0.41
▸ BCHE P06276 3/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ NR5A2 O00482 1/20 0.35
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL11602062 0.90 CNR1 (0.43) CNR1CNR2BCHENR5A2
SCHEMBL11602977 0.90 CNR1 (0.41) CNR1CNR2BCHEHTR2AHTR2C
SCHEMBL11601825 0.89 CNR1 (0.42) CNR1CNR2BCHENR5A2SIGMAR1
SCHEMBL11602369 0.87 CNR1 (0.39) CNR1CNR2BCHEHTR2AHTR2C
SCHEMBL11602882 0.85 CNR2 (0.46) CNR1CNR2
SCHEMBL11602367 0.78 NR5A2 (0.36) CNR1CNR2BCHEHTR2CNR5A2
SCHEMBL11602110 0.78 CNR2 (0.38) CNR1CNR2
SCHEMBL11601057 0.77 PPARA (0.41) CNR1CNR2
SCHEMBL11603717 0.76 NR5A2 (0.34) CNR1CNR2BCHEHTR2CNR5A2
SCHEMBL11604641 0.76 CNR2 (0.46) CNR1CNR2

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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