SCHEMBL13019264

SCHEMBL13019264

C=CCCC(NC(C)=O)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.44
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS2 P35354 1/20 0.36
THPO P40225 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL12571476 0.87 USP2 (0.48) PLA2G2CALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3184286 0.85 TAS1R3 (0.43) PLA2G2CALDH1A1TAS1R3TAS1R1
SCHEMBL3184278 0.85 TAS1R3 (0.43) PLA2G2CALDH1A1TAS1R3TAS1R1
SCHEMBL11404747 0.84 KDM4E (0.37) PLA2G2CALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL15723450 0.83 TAS1R3 (0.37) ALDH1A1LMNATHRBTAS1R3TAS1R1
SCHEMBL19861654 0.83 ALDH1A1 (0.35) PLA2G2CALDH1A1LMNATAS1R3TAS1R1
SCHEMBL12064029 0.82 SMN1; SMN2 (0.45) ALDH1A1MAPTSMN1; SMN2KDM4ETHRB
SCHEMBL12064309 0.82 SMN1; SMN2 (0.45) ALDH1A1MAPTSMN1; SMN2KDM4ETHRB
SCHEMBL12064041 0.82 SMN1; SMN2 (0.45) ALDH1A1MAPTSMN1; SMN2KDM4ETHRB
SCHEMBL8061894 0.81 ALDH1A1 (0.39) PLA2G2CALDH1A1LMNAMAPTSMN1; SMN2

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
US-7858388-B2 MS based peptide and protein sequencing via reactions of lysine residues with peroxycarbonate compounds VANDERBILT UNIVERSITY (US) 2010-12-28 US disclosed
US-7858388-B2 MS based peptide and protein sequencing via reactions of lysine residues with peroxycarbonate compounds VANDERBILT UNIVERSITY (US) 2010-12-28 US disclosed