SCHEMBL21486274

SCHEMBL21486274

C=CCCC[C@@H]1CCC[C@H]1OC(=O)NC(C(=O)O)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.31
CASP1 P29466 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
SCHEMBL3306435 1.00 CNR2 (0.31) CNR2CASP1
SCHEMBL8209861 1.00 CNR2 (0.31) CNR2CASP1
SCHEMBL14979993 0.93 CNR2 (0.32) CNR2CASP1
SCHEMBL1019752 0.93 CNR2 (0.32) CNR2CASP1
SCHEMBL21508857 0.93 CNR2 (0.32) CNR2CASP1
SCHEMBL2173087 0.89 CNR2 (0.31) CNR2
SCHEMBL16853951 0.89 CNR2 (0.31) CNR2
SCHEMBL7945603 0.89 CNR2 (0.31) CNR2
SCHEMBL3311795 0.89 CNR2 (0.31) CNR2
SCHEMBL731018 0.86 CNR2 (0.31) CNR2

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
EP-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed