SCHEMBL27414115

SCHEMBL27414115

CC(C)OC(=O)CCCc1cccc(N)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.39
IAPP P10997 4/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
ALOX5 P09917 1/20 0.35

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
SCHEMBL27414114 0.84 CA12 (0.45) HSD17B10MAPTALOX15CASP1CASP7
SCHEMBL27565927 0.84 TSHR (0.41) HSD17B10MAPTTSHRIAPPALDH1A1
SCHEMBL27501902 0.82 CYP4F2 (0.56) HSD17B10IAPPALDH1A1CYP4F2CYP4A11
SCHEMBL27446763 0.80 TSHR (0.46) HSD17B10LMNATSHRIAPPCA12
SCHEMBL27831060 0.79 MTNR1A (0.44) IAPPALOX5PTGS2MTNR1AMMP2
Hydrochloric Acid SCHEMBL27541293 0.77 MTNR1A (0.43) IAPPALOX5PTGS2MTNR1AMMP2
SCHEMBL6670265 0.77 MEN1 (0.47) MAPTIAPPMMP2
SCHEMBL18591613 0.76 LMNA (0.56) HSD17B10MAPTLMNATSHRALDH1A1
SCHEMBL11216869 0.75 IAPP (0.46) HSD17B10MAPTLMNATSHRIAPP
SCHEMBL6782219 0.73 CYP2D6 (0.56) MTNR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1253442-C Novel thiazine and pyrazine derivatives SANTEN PHARMACEUTICAL CO LTD (JP) 2006-04-26 CN disclosed
CN-1098838-C Substituted N- (indole-2-carbonyl) -beta-alaninamides and derivatives as antidiabetics PFIZER (US) 2003-01-15 CN disclosed
CN-1372553-A Novel thiazine or pyrazine derivatives SANTEN PHARMACEUTICAL CO LTD (JP) 2002-10-02 CN disclosed
CN-1140709-A Substituted N- (indole-2-carbonyl) -beta-alaninamides and derivatives as antidiabetics PFIZER (US) 1997-01-22 CN disclosed