SCHEMBL19003911

SCHEMBL19003911

C=CCC(NC(C)=O)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
PTGS2 P35354 1/20 0.42
THPO P40225 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PLA2G2C Q5R387 1/20 0.36
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
GNPAT O15228 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL10074584 0.88 KDM4E (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13465715 0.85 MAPT (0.55) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL713231 0.85 MAPT (0.55) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL15497996 0.85 MAPT (0.55) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13160460 0.82 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1PLA2G2CMMP2MMP3
SCHEMBL713948 0.82 KDM4E (0.38) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL5564073 0.82 MMP2 (0.41) MMP2MMP3MMP7TSHR
SCHEMBL13154045 0.82 CYP2C9 (0.39) SMN1; SMN2ALDH1A1PLA2G2CMMP2MMP3
SCHEMBL890102 0.82 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1PLA2G2CMMP2MMP3
SCHEMBL12510950 0.82 KDM4E (0.38) 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
EP-3299463-B1 ENZYMATIC ENCODING NUEVOLUTION AS (DK) 2020-10-21 EP disclosed
EP-2348125-B1 Method for the synthesis of a bifunctional complex NUEVOLUTION AS (DK) 2017-06-21 EP disclosed