SCHEMBL21765880

SCHEMBL21765880

CCC(=O)O[C@@H]1C=C[C@H](OCC(C)C=O)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 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
SCHEMBL4611082 0.79 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3
SCHEMBL12157105 0.79 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3
SCHEMBL4544318 0.79 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3
SCHEMBL4611885 0.70 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3
SCHEMBL10775509 0.66 ALDH1A1 (0.44)
SCHEMBL7224503 0.63
SCHEMBL7800124 0.63
SCHEMBL7064509 0.62 NPSR1 (0.32)
SCHEMBL12157103 0.61 TRPA1 (0.34)
SCHEMBL4546329 0.61 TRPA1 (0.34)

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
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed