SCHEMBL20159624

SCHEMBL20159624

CC/C=C\NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.40
CA1 P00915 2/20 0.39
CA7 P43166 2/20 0.39
CA12 O43570 2/20 0.39
CA14 Q9ULX7 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPK10 P53779 1/20 0.36
APLNR P35414 1/20 0.35
CTSS P25774 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
DGAT1 O75907 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL16061377 1.00 CTSK (0.40) CTSKCA1CA7CA12CA14
SCHEMBL571467 1.00 CTSK (0.40) CTSKCA1CA7CA12CA14
SCHEMBL22962388 0.87 CTSK (0.37) CTSKCA1CA7CA12CA14
SCHEMBL10100401 0.85 CA1 (0.40) CTSKCA1CA7CA12CA14
SCHEMBL10776406 0.85 CA1 (0.40) CTSKCA1CA7CA12CA14
SCHEMBL12571335 0.83 MAPK10 (0.41) CTSKCA1CA7CA12CA14
SCHEMBL15096829 0.83 MAPK10 (0.41) CTSKCA1CA7CA12CA14
SCHEMBL1933452 0.82 CTSK (0.39) CTSKCA1CA7CA12CA14
SCHEMBL2877516 0.82 CTSK (0.39) CTSKCA1CA7CA12CA14
SCHEMBL166623 0.81 CA1 (0.42) CTSKCA1CA7CA12CA14

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-2021254133-A1 SMALL MOLECULE COMPOUND 嘉兴特科罗生物科技有限公司 2021-12-23 WO disclosed
WO-2018087018-A1 PHENOXYTRIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2018-05-17 WO disclosed