SCHEMBL16620774

SCHEMBL16620774

CC(C)Oc1ccccc1-c1c(C=O)n(C(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MAP2 P11137 2/20 0.38
NTRK1 P04629 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3B P49841 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
NR1H2 P55055 3/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
TRPV3 Q8NET8 1/20 0.33

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
SCHEMBL16621034 0.83 CHRM2 (0.41) CHRM2CHRM4CHRM1CHRM3MAP2
SCHEMBL16621133 0.77 CHRM2 (0.37) CHRM2CHRM4CHRM1CHRM3MAP2
SCHEMBL16620836 0.76 CHRM3 (0.42) CHRM2CHRM4CHRM1CHRM3MAP2
SCHEMBL13696680 0.71 CHRM2 (0.59) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL30022454 0.71 CHRM2 (0.59) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL20626503 0.70 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL19760153 0.70 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL18919194 0.69 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL28247793 0.68 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3L3MBTL1
SCHEMBL28247851 0.68 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3L3MBTL1

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-2015051149-A1 SORAFENIB ANALOGS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-04-09 WO disclosed