SCHEMBL20180234

SCHEMBL20180234

CCC(C)(C)CC1Cc2c(cc(C(C)(C)C)c(OC)c2-c2cc(C)cc(C)c2)C1=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.31
PTGS2 P35354 1/20 0.30

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
SCHEMBL20180227 0.90 CNR2 (0.31) CNR2
SCHEMBL29874522 0.90 CNR2 (0.31) CNR2
SCHEMBL20165751 0.90 CNR2 (0.31) CNR2
SCHEMBL21451184 0.89 CNR2 (0.33) CNR2
SCHEMBL31355494 0.89 CNR2 (0.33) CNR2
SCHEMBL22863196 0.81 ACHE (0.42) CNR2PTGS2
SCHEMBL20165703 0.81 ACHE (0.42) CNR2PTGS2
SCHEMBL20180147 0.81 ACHE (0.42) CNR2PTGS2
SCHEMBL31342804 0.78
SCHEMBL9955849 0.78 ALOX5 (0.35)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541823-B1 CATALYSTS BOREALIS AG (AT) 2020-12-30 EP disclosed
WO-2018091684-A1 CATALYSTS BOREALIS AG (AT) 2018-05-24 WO disclosed