SCHEMBL23486357

SCHEMBL23486357

CC(C)(C)OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.42
S1PR1 P21453 1/20 0.41
USP30 Q70CQ3 3/20 0.41
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
F11 P03951 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
IDO1 P14902 1/20 0.40
CTNNB1 P35222 3/20 0.39
CTSL P07711 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.39
KLKB1 P03952 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL23486474 0.91 MAPT (0.41) S1PR1USP30MAPTNPSR1MEN1
SCHEMBL23466496 0.90 F11 (0.46) FPR2S1PR1F11IDO1CTNNB1
SCHEMBL23466497 0.90 F11 (0.46) FPR2S1PR1F11IDO1CTNNB1
SCHEMBL29757988 0.90 F11 (0.46) FPR2S1PR1F11IDO1CTNNB1
SCHEMBL29139690 0.89 S1PR1 (0.40) S1PR1USP30MAPTNPSR1MEN1
SCHEMBL30680267 0.88 CTSL (0.40) FPR2USP30MAPTNPSR1MEN1
SCHEMBL23486820 0.86 MMP1 (0.42) S1PR1USP30MAPTNPSR1MEN1
SCHEMBL23486350 0.86 KLKB1 (0.43) S1PR1USP30MAPTNPSR1MEN1
SCHEMBL23486348 0.86 KLKB1 (0.43) S1PR1USP30MAPTNPSR1MEN1
SCHEMBL23486821 0.86 MMP1 (0.42) S1PR1USP30MAPTNPSR1MEN1

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