SCHEMBL7535569

SCHEMBL7535569

CC([O])NC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
EPHX1 P07099 7/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
EPHX2 P34913 3/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL6026261 0.92
SCHEMBL19881676 0.81 ATM (0.48) ATMGAAL3MBTL1ALDH1A1HSD17B10
SCHEMBL7776775 0.80 ALDH1A1 (0.47) ATMGAAL3MBTL1ALDH1A1HSD17B10
SCHEMBL18844888 0.80 ALDH1A1 (0.47) ATMGAAL3MBTL1ALDH1A1HSD17B10
SCHEMBL22369902 0.80 ALDH1A1 (0.47) ATMGAAL3MBTL1ALDH1A1HSD17B10
SCHEMBL19705361 0.80 ALDH1A1 (0.47) ATMGAAL3MBTL1ALDH1A1HSD17B10
SCHEMBL278463 0.80 ALDH1A1 (0.47) ATMGAAL3MBTL1ALDH1A1HSD17B10
SCHEMBL19966112 0.80 ALDH1A1 (0.47) ATMGAAL3MBTL1ALDH1A1HSD17B10
SCHEMBL104545 0.80 ALDH1A1 (0.47) ATMGAAL3MBTL1ALDH1A1HSD17B10
SCHEMBL11872987 0.79 GAA (0.42) ATMGAAL3MBTL1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711760-B1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2002-05-15 EP disclosed
US-6130332-A USING A GROUP 8 METAL CATALYST AND ALDEHYDES OR KETONE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-10 US disclosed
US-5792867-A Method of alkylating of triazine derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 EP disclosed
EP-0711760-A1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-15 EP disclosed