SCHEMBL23486348

SCHEMBL23486348

CC(C)(C)OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)Nc2cc(Cl)ccc2OCC2CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 3/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
MMP1 P03956 2/20 0.41
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC8 Q9BY41 1/20 0.39
S1PR1 P21453 1/20 0.39
F11 P03951 2/20 0.39
USP30 Q70CQ3 3/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
CTSL P07711 1/20 0.37

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
SCHEMBL23486350 1.00 KLKB1 (0.43) KLKB1PLGPLAUMMP1MAPT
SCHEMBL23486351 0.90 KLKB1 (0.47) KLKB1PLGPLAUMMP1MEN1
SCHEMBL23486820 0.88 MMP1 (0.42) KLKB1PLGPLAUMMP1MAPT
SCHEMBL23486821 0.88 MMP1 (0.42) KLKB1PLGPLAUMMP1MAPT
SCHEMBL23486474 0.88 MAPT (0.41) KLKB1MMP1MAPTNPSR1MEN1
SCHEMBL29139690 0.86 S1PR1 (0.40) KLKB1MMP1MAPTNPSR1MEN1
SCHEMBL23486357 0.86 FPR2 (0.42) KLKB1MMP1MAPTNPSR1MEN1
SCHEMBL23486780 0.84 MMP1 (0.40) KLKB1PLGPLAUMMP1MAPT
SCHEMBL23486652 0.84 KLKB1 (0.40) KLKB1PLGPLAUMMP1MAPT
SCHEMBL23466781 0.83 CHRM2 (0.41) KLKB1PLGPLAUMMP1MAPT

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-2021110076-A1 OXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 深圳信立泰药业股份有限公司 2021-06-10 WO disclosed