SCHEMBL14130633

SCHEMBL14130633

CC(=O)O[C@H]1CCC[C@H](O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.44
CHRM1 P11229 3/20 0.44
CHRM4 P08173 2/20 0.44
CHRM3 P20309 2/20 0.44
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CYP2D6 P10635 2/20 0.40
GSR P00390 2/20 0.38
SLC18A3 Q16572 2/20 0.36
METAP2 P50579 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 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
SCHEMBL5084642 1.00 CHRM2 (0.44) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL9325366 0.87 CHRM2 (0.47) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL789422 0.87 CHRM2 (0.47) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL9325357 0.87 CHRM2 (0.47) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL2292809 0.83 GSR (0.50) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL2293222 0.83 GSR (0.50) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL2293227 0.83 GSR (0.50) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL789252 0.82 CHRM2 (0.53) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL20995891 0.82 CHRM2 (0.53) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL1906719 0.81 ALDH1A1 (0.34) CHRM2CHRM1CHRM4CHRM3GSR

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-7393985-B2 Supported ruthenium nanoparticle catalyst for cis -dihydroxylation and oxidative cleavage of alkenes THE UNIVERSITY OF HONG KONG (CN) 2008-07-01 US disclosed