SCHEMBL25128784

SCHEMBL25128784

CCCC(NC(=O)CNC(=O)CC(C)C)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 5/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ REN P00797 2/20 0.33
▸ CTSD P07339 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ PREP P48147 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CCR2 P41597 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL25128148 0.84 PSMB5 (0.47) PSMB5RENCTSDBACE1
SCHEMBL22851449 0.75 PSMB5 (0.57) PSMB5SMN1; SMN2TP53HPGDGAA
SCHEMBL13154048 0.75 CYP2C9 (0.43) ALDH1A1TDP1KMT2ATSHR
SCHEMBL6367910 0.75 CYP2C9 (0.43) ALDH1A1TDP1KMT2ATSHR
SCHEMBL16587847 0.73 NOD1 (0.38) PSMB5
SCHEMBL23817738 0.73 PSMB5 (0.54) PSMB5SMN1; SMN2TP53HPGDGAA
SCHEMBL23792690 0.72 NOD1 (0.34) CTSDALDH1A1TDP1KMT2ATSHR
SCHEMBL8736851 0.71 NOD1 (0.45) PSMB5TDP1KMT2A
SCHEMBL23289285 0.71 PSMB5 (0.42) PSMB5
SCHEMBL21074906 0.71 PSMB5 (0.46) PSMB5RENCTSDBACE1

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-2023040793-A1 ANTI-INFLAMMATORY COMPOUND AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-03-23 — — WO disclosed
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