SCHEMBL9016405

SCHEMBL9016405

CCOC(Cl)c1[nH]c(=O)[nH]c(=O)c1CC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMP P19971 5/20 0.39
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE3B Q13370 2/20 0.30
PDE3A Q14432 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 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
SCHEMBL9016367 0.79 TYMP (0.31) TYMP
SCHEMBL7540892 0.66 TYMP (0.70) TYMP
SCHEMBL14423060 0.64 TYMP (0.47) TYMPALDH1A1CYP1A2CYP2C19PDE3B
SCHEMBL17551856 0.62 MAPT (0.50) TYMPALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL9354404 0.59 TYMP (0.37) TYMPALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL11762589 0.58 DHODH (0.55) CYP1A2CYP2C19
SCHEMBL18884210 0.58 KDM4E (0.50) TYMPALDH1A1MAPTPDE3BPDE3A
SCHEMBL27906010 0.56 TSHR (0.36) TYMPALDH1A1
SCHEMBL20799748 0.55 TYMP (0.50) TYMP
SCHEMBL9592776 0.55 TYMP (0.46) TYMPALDH1A1KDM4E

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
EP-0748316-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES SUNKYONG INDUSTRIES CO., LTD. (KR) 1996-12-18 EP disclosed