SCHEMBL9256737

SCHEMBL9256737

CCOC(=O)c1[nH]c(CN(C)C(=O)OC(C)(C)C)nc1C(C)(C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNA1C Q13936 1/20 0.43
HTT P42858 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
IGF1R P08069 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 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
SCHEMBL4363347 0.80 ALDH1A1 (0.44) HTTALDH1A1HPGDKDM4ERECQL
SCHEMBL987234 0.77 ALDH1A1 (0.42) HTTALDH1A1HPGDKDM4ERECQL
SCHEMBL1935518 0.77 CACNA1G (0.42) CACNA1GCACNA1BCACNA1CHTTALDH1A1
Water SCHEMBL21776630 0.76 ALDH1A1 (0.41) HTTALDH1A1HPGDKDM4ERECQL
SCHEMBL7883597 0.76 ALDH1A1 (0.41) HTTALDH1A1HPGDKDM4ERECQL
SCHEMBL7298547 0.75 ALDH1A1 (0.40) HTTALDH1A1HPGDKDM4ERECQL
SCHEMBL7878657 0.75 ALDH1A1 (0.40) HTTALDH1A1HPGDKDM4ERECQL
SCHEMBL8861128 0.74 ALDH1A1 (0.40) HTTALDH1A1HPGDKDM4ERECQL
SCHEMBL11947892 0.72 CACNA1G (0.44) CACNA1GCACNA1BCACNA1CHTTALDH1A1
SCHEMBL8244423 0.72 ALDH1A1 (0.48) HTTALDH1A1HPGDKDM4ERECQL

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-5459148-A Cardiovascular disorders SANKYO COMPANY, LIMITED (JP) 1995-10-17 US disclosed