SCHEMBL19209517

SCHEMBL19209517

CC(C)(C)OC(=O)NN1CCC(CS(=O)(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.36
CTSK P43235 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
ACACB O00763 1/20 0.34
STS P08842 1/20 0.34
TGFBR1 P36897 2/20 0.34
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
CA2 P00918 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
SCHEMBL16419549 0.88 KMT2A (0.40) CTSKALDH1A1KMT2AMEN1TSHR
SCHEMBL15009171 0.82 NR1H2 (0.42) CTSKALDH1A1KMT2AMEN1TSHR
SCHEMBL7441833 0.81 ACACB (0.40) GPR119CTSKALDH1A1KMT2AMEN1
SCHEMBL25819260 0.81 ALDH1A1 (0.52) GPR119CTSKALDH1A1KMT2AMEN1
SCHEMBL3625257 0.81 ACACB (0.40) CTSKALDH1A1KMT2AMEN1TSHR
SCHEMBL5914370 0.79 KMT2A (0.39) GPR119CTSKALDH1A1KMT2AMEN1
SCHEMBL30965680 0.78 EPHX1 (0.40) CTSKALDH1A1KMT2AMEN1TSHR
SCHEMBL7655298 0.78 GPR119 (0.51) GPR119STSTGFBR1KDM4EPKM
SCHEMBL15654440 0.77 CHRM2 (0.41) CTSKALDH1A1KMT2AMEN1TSHR
SCHEMBL27349219 0.77 CTSK (0.41) CTSKALDH1A1KMT2AMEN1TSHR

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-2017134685-A2 NOVEL HYDRAZINO COMPOUNDS AS BTK INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2017-08-10 WO disclosed