SCHEMBL28060706

SCHEMBL28060706

CCC=CCNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSK P43235 3/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CA1 P00915 5/20 0.38
CA12 O43570 3/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 1/20 0.38
CA2 P00918 4/20 0.37
CA9 Q16790 2/20 0.37
EPHX1 P07099 1/20 0.37
CTSS P25774 1/20 0.37
SYK P43405 1/20 0.37
PTPN11 Q06124 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL19420087 1.00 TDP1 (0.44) TDP1MEN1GAAKMT2ACTSK
SCHEMBL20437999 1.00 TDP1 (0.44) TDP1MEN1GAAKMT2ACTSK
SCHEMBL18262010 0.92 TDP1 (0.50) TDP1MEN1GAAKMT2ACTSK
SCHEMBL18487257 0.92 TDP1 (0.50) TDP1MEN1GAAKMT2ACTSK
SCHEMBL18262007 0.92 TDP1 (0.50) TDP1MEN1GAAKMT2ACTSK
SCHEMBL27997105 0.85 TDP1 (0.42) TDP1MEN1GAAKMT2ACTSK
SCHEMBL661594 0.85 TDP1 (0.49) TDP1MEN1GAAKMT2ACTSK
SCHEMBL18262802 0.85 MEN1 (0.46) TDP1MEN1GAAKMT2ACTSK
SCHEMBL13092290 0.85 TDP1 (0.44) TDP1MEN1GAAKMT2ACTSK
SCHEMBL661593 0.85 TDP1 (0.49) TDP1MEN1GAAKMT2ACTSK

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
CN-102656180-B As the feather fan alcohol type triterpene derivative of antiviral drug HETERO RESEARCH FOUNDATION (IN) 2016-04-20 CN disclosed