SCHEMBL8767309

SCHEMBL8767309

COC(=O)CN(CCn1cc2ccccc2n1)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CASP3 P42574 2/20 0.35
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NPC1 O15118 1/20 0.35
MCHR1 Q99705 1/20 0.34
KDM4E B2RXH2 3/20 0.34
NOTUM Q6P988 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8767305 0.95 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDALOX15MAPK1
SCHEMBL8768727 0.89 HDAC8 (0.37) ALDH1A1ALOX15RXFP1USP2HDAC8
SCHEMBL8767396 0.78 NPSR1 (0.37) ALDH1A1HPGDALOX15RXFP1MAPT
SCHEMBL8767444 0.74 KMO (0.55) HSD17B10NPC1KDM4EKMT2ASMN1; SMN2
SCHEMBL8767402 0.73 LMNA (0.38) ALDH1A1NPC1KMT2ASMN1; SMN2
SCHEMBL13895808 0.72 KMT2A (0.49) ALDH1A1RXFP1MAPTHDAC8KDM4E
SCHEMBL28265957 0.71 HTR2A (0.44) ALDH1A1NPC1IRAK4KMT2A
SCHEMBL1774699 0.69 KDM4E (0.44) ALDH1A1HSD17B10HPGDHDAC8KDM4E
SCHEMBL2627042 0.69 MAPT (0.47) ALDH1A1HSD17B10MAPTKDM4EKMT2A
SCHEMBL8767354 0.68 KDM4E (0.51) ALDH1A1KDM4EKMT2A

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-0790241-A1 COMPLEXONES WITH THE STRUCTURE OF N-2-(AZOL-1(2)-YL)ETHYLIMINODIACETIC ACIDS, SYNTHESIS, ANALYTICAL STUDY AND BIOLOGICAL APPLICATIONS UNIVERSIDAD NACIONAL DE EDUCACION A DISTANCIA (ES) 1997-08-20 EP claimed
EP-0790241-A1 COMPLEXONES WITH THE STRUCTURE OF N-2-(AZOL-1(2)-YL)ETHYLIMINODIACETIC ACIDS, SYNTHESIS, ANALYTICAL STUDY AND BIOLOGICAL APPLICATIONS UNIVERSIDAD NACIONAL DE EDUCACION A DISTANCIA (ES) 1997-08-20 EP disclosed