SCHEMBL9325366

SCHEMBL9325366

CC(=O)OC1CCCC1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.47
CHRM1 P11229 3/20 0.47
CHRM4 P08173 2/20 0.47
CHRM3 P20309 2/20 0.47
GSR P00390 2/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2D6 P10635 2/20 0.42
SLC18A3 Q16572 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
NPY4R P50391 1/20 0.33
NPY5R Q15761 1/20 0.33
METAP2 P50579 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 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
SCHEMBL789422 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM4CHRM3GSR
SCHEMBL9325357 1.00 CHRM2 (0.47) CHRM2CHRM1CHRM4CHRM3GSR
SCHEMBL2293227 0.95 GSR (0.50) CHRM2CHRM1CHRM4CHRM3GSR
SCHEMBL2292809 0.95 GSR (0.50) CHRM2CHRM1CHRM4CHRM3GSR
SCHEMBL2293222 0.95 GSR (0.50) CHRM2CHRM1CHRM4CHRM3GSR
SCHEMBL4915341 0.93 GSR (0.52) CHRM2CHRM1CHRM4CHRM3GSR
SCHEMBL16250349 0.93 GSR (0.52) CHRM2CHRM1CHRM4CHRM3GSR
SCHEMBL14130633 0.87 CHRM2 (0.44) CHRM2CHRM1CHRM4CHRM3GSR
SCHEMBL5084642 0.87 CHRM2 (0.44) CHRM2CHRM1CHRM4CHRM3GSR
SCHEMBL20995891 0.85 CHRM2 (0.53) CHRM2CHRM1CHRM4CHRM3KMT2A

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
CN-109053523-B Azetidines as MEK inhibitors for the treatment of proliferative diseases 埃克塞利希斯股份有限公司 2022-03-25 CN disclosed
US-5312950-A Method for purification of alcohols EASTMAN KODAK COMPANY (US) 1994-05-17 US disclosed