SCHEMBL9815416

SCHEMBL9815416

CC(=O)Nc1cccc(COC(C)=O)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.63
ALDH1A1 P00352 4/20 0.57
CYP1A2 P05177 1/20 0.57
NPSR1 Q6W5P4 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
HSD17B10 Q99714 1/20 0.53
POLB P06746 1/20 0.53
NR4A1 P22736 1/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
NLRP3 Q96P20 1/20 0.50
MAOB P27338 1/20 0.50
AOC3 Q16853 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
STAT1 P42224 1/20 0.49

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
SCHEMBL28742452 0.87 ALDH1A1 (0.61) RAB9AALDH1A1CYP1A2NPSR1SIRT2
SCHEMBL791661 0.85 ALDH1A1 (0.59) RAB9AALDH1A1CYP1A2NPSR1SIRT2
SCHEMBL9815410 0.84 RAB9A (0.53) RAB9AALDH1A1CYP1A2NPSR1HSD17B10
SCHEMBL25140423 0.84 ALDH1A1 (0.56) RAB9AALDH1A1SIRT2SIRT3POLB
SCHEMBL24728477 0.84 ALDH1A1 (0.56) RAB9AALDH1A1SIRT2SIRT3HSD17B10
SCHEMBL28977953 0.83 RAB9A (0.55) RAB9AALDH1A1CYP1A2NPSR1SIRT2
SCHEMBL30167080 0.83 RAB9A (0.55) RAB9AALDH1A1CYP1A2NPSR1SIRT2
SCHEMBL6709375 0.82 ALDH1A1 (0.73) RAB9AALDH1A1KMT2AMAOBKDM4E
SCHEMBL6692993 0.81 MAPT (0.49) RAB9AALDH1A1CYP1A2MEN1KMT2A
SCHEMBL13542850 0.80 TOP2A (0.57) RAB9AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297607-B1 GAMMA-L-GLUTAMYL-4-NITROANILIDE DERIVATIVES AND PROCESS FOR DETERMINING GAMMA-GTP ACTIVITY USING THE SAME WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-28 EP disclosed
US-4851572-A DIAGNOSIS OF LIVER AND BILE DUCT DISORDERS, ALCOHOLISM WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
EP-0297607-A1 Gamma-L-glutamyl-4-nitroanilide derivatives and process for determining gamma-GTP activity using the same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-01-04 EP disclosed