SCHEMBL10495608

SCHEMBL10495608

CC1C2=C(CCCC2=O)NC2=C1C(=O)CCC2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
KDM4E B2RXH2 7/20 0.52
GAA P10253 4/20 0.52
GLA P06280 1/20 0.52
HSD17B10 Q99714 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
LMNA P02545 2/20 0.41
CACNA1D Q01668 1/20 0.41
FFAR3 O14843 1/20 0.39

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
SCHEMBL12563148 0.74 KDM4E (0.41) ALDH1A1KDM4EGAAGLAHSD17B10
SCHEMBL7817859 0.71 ALDH1A1 (0.63) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL5815734 0.70 KDM4E (0.53) ALDH1A1KDM4EGAAGLAHSD17B10
SCHEMBL7817258 0.70 GPR174 (0.72) ALDH1A1GAAKMT2AMEN1ABCC9
SCHEMBL29538575 0.69 GAA (0.61) ALDH1A1KDM4EGAAGLAHSD17B10
SCHEMBL7817092 0.67 GPR174 (0.70) KDM4EKMT2AMEN1ABCC9ABCC8
SCHEMBL7820326 0.67 ALDH1A1 (0.67) ALDH1A1KDM4EGAAGLAHSD17B10
SCHEMBL8085348 0.65 CRBN (0.38) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL9803041 0.64 KDM4E (0.35) ALDH1A1KDM4EGAAHSD17B10L3MBTL1
SCHEMBL22269163 0.63 ALDH1A1 (0.33) ALDH1A1KDM4EGAAHSD17B10L3MBTL1

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-4814280-A FLUORIGENIC ASSAY PETERSON CHARLES M (US) 1989-03-21 US claimed
US-4814280-A FLUORIGENIC ASSAY PETERSON CHARLES M (US) 1989-03-21 US disclosed