SCHEMBL22476513

SCHEMBL22476513

COC(C(C)C(=O)NC(Cc1ccccc1)C(=O)NOCc1ccccc1)C1CCCN1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ACE P12821 2/20 0.41
KDM4E B2RXH2 1/20 0.40
YAP1 P46937 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
PSMB8 P28062 2/20 0.39
PSMB5 P28074 2/20 0.39
PSMA1 P25786 1/20 0.39
PSMB9 P28065 1/20 0.39
PSMB4 P28070 1/20 0.39
PSMB10 P40306 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PREP P48147 1/20 0.39

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
SCHEMBL2734908 0.89 POLB (0.49) GAAACEALDH1A1HSD17B10
SCHEMBL22810961 0.89 POLB (0.49) GAAACEALDH1A1HSD17B10
SCHEMBL15313443 0.89 POLB (0.49) GAAACEALDH1A1HSD17B10
SCHEMBL9892967 0.89 POLB (0.49) GAAACEALDH1A1HSD17B10
SCHEMBL21699252 0.89 POLB (0.49) GAAACEALDH1A1HSD17B10
SCHEMBL19647312 0.89 GAA (0.54) GAAKDM4EL3MBTL1ALDH1A1THRB
SCHEMBL18912329 0.89 GAA (0.54) GAAKDM4EL3MBTL1ALDH1A1THRB
SCHEMBL20750962 0.86 GAA (0.41) GAAACEKDM4EL3MBTL1OPRM1
SCHEMBL22600820 0.85 NPC1 (0.44) GAAACE
SCHEMBL26765974 0.85 NPC1 (0.44) GAAACE

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
EP-3303366-B1 DERIVATIVES OF DOLASTATIN 10 AND USES THEREOF NEWBIO THERAPEUTICS INC (CN) 2020-09-30 EP disclosed