SCHEMBL7560772

SCHEMBL7560772

Cc1ccc(C2CC(=O)CC(=O)C2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
GAA P10253 4/20 0.42
ALDH1A1 P00352 11/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 6/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.37
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL7563284 0.77 MAPT (0.47) MAPTGAAALDH1A1HPGDKMT2A
SCHEMBL16661514 0.77
SCHEMBL7687698 0.74 ALDH1A1 (0.36) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL18590509 0.73 PDE4A (0.42) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL18590501 0.73 PDE4A (0.42) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8127649 0.71 HPGD (0.42) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23879771 0.69 SLC6A2 (0.47) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL17147675 0.69 CHRM2 (0.37) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL17147676 0.69 CHRM2 (0.37) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15448627 0.69 NPC1 (0.49) MAPTALDH1A1KDM4EHPGDHSD17B10

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-1229019-A1 PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE CYCLIC ENAMINONE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed