SCHEMBL20160296

SCHEMBL20160296

COC(=O)[C@H](CC[S+](C)[O-])NC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA3 P07451 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA7 P43166 1/20 0.34

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
SCHEMBL29475246 0.84 KDM4E (0.38) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL22612669 0.82 SMN1; SMN2 (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL3792833 0.82 SMN1; SMN2 (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL20077205 0.82 SMN1; SMN2 (0.37) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL20077212 0.82 SMN1; SMN2 (0.37) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1129578 0.82 SMN1; SMN2 (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL21184224 0.82 CA1 (0.32) SMN1; SMN2CA1CA2CA14
SCHEMBL13603271 0.82 CYP2C9 (0.34) USP2L3MBTL1HDAC1HDAC2HDAC6
SCHEMBL12064029 0.81 SMN1; SMN2 (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12064041 0.81 SMN1; SMN2 (0.45) KDM4EMAPTTHRBALOX15NFKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020036904-A1 NOVEL UREA-OXAZIRIDINES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-02-20 — — WO disclosed
WO-2018089951-A1 REDOX-BASED REAGENTS FOR METHIONINE BIOCONJUGATION REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-17 — — WO disclosed
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