SCHEMBL5488554

SCHEMBL5488554

CCOC(=O)c1cnc(C)c(C(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
KDM4E B2RXH2 3/20 0.40
MAOB P27338 3/20 0.39
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MAPK1 P28482 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL277286 0.88 CYP2C9 (0.54) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL845538 0.82 CYP2C9 (0.51) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL5481626 0.82 CYP2C9 (0.59) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL28585768 0.79 CYP2C19 (0.69) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL29382818 0.79 CYP2C19 (0.69) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL29877603 0.79 ALDH1A1 (0.47) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL4726039 0.79 ALDH1A1 (0.47) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL20719679 0.79 DPP4 (0.51) CYP2C9CYP2C19KDM4EALDH1A1MAPK1
SCHEMBL29156396 0.78 MAPT (0.45) KDM4EMAOBALDH1A1HSD17B10TSHR
SCHEMBL30684644 0.78 MAPT (0.45) KDM4EMAOBALDH1A1HSD17B10TSHR

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
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed