SCHEMBL24983988

SCHEMBL24983988

CC(=O)CC[C@H](NC(C)=O)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ FOLH1 Q04609 4/20 0.34
▸ RIMKLA Q8IXN7 1/20 0.34
▸ NAALAD2 Q9Y3Q0 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ SLC15A2 Q16348 1/20 0.33
▸ GNPAT O15228 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
SCHEMBL8254919 1.00 MAPT (0.43) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL14557465 0.84 FOLH1 (0.52) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL14557466 0.84 MAPT (0.57) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL11885251 0.84 MAPT (0.57) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL17718255 0.84 FOLH1 (0.52) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL12661034 0.83 CHRM2 (0.42) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL18133384 0.83 CHRM2 (0.42) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL23446568 0.83 ALDH1A1 (0.42) ALDH1A1FOLH1RIMKLANAALAD2LMNA
SCHEMBL24967258 0.83 MAPT (0.45) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL27252316 0.83 MAPT (0.41) MAPTKDM4ETHRBALOX15NFKB1

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-2023001224-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TARGETED THERAPY OF RENAL CANCERS SHANGHAI MICURX PHARMACEUTICAL CO., LTD. (CN) 2023-01-26 — — WO disclosed
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