SCHEMBL7365891

SCHEMBL7365891

CSc1ccc(C(=O)CCCCl)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.49
NPC1 O15118 3/20 0.46
PLK1 P53350 1/20 0.46
RAB9A P51151 2/20 0.46
HSD17B3 P37058 7/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HTR7 P34969 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
FLI1 Q01543 1/20 0.42
EWSR1 Q01844 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL11656990 0.95 HAO1 (0.47) HAO1NPC1PLK1RAB9AHSD17B3
SCHEMBL18193726 0.89 HAO1 (0.51) HAO1NPC1PLK1RAB9AHSD17B3
SCHEMBL7196791 0.87 L3MBTL1 (0.55) HAO1NPC1PLK1RAB9AHSD17B3
SCHEMBL6050822 0.81 GSK3B (0.57) HAO1PLK1RAB9AMMP2MMP9
SCHEMBL8536860 0.81 HSD17B3 (0.49) HAO1NPC1PLK1RAB9AHSD17B3
SCHEMBL13864138 0.81 HSD17B3 (0.67) HSD17B3L3MBTL1HTR7LMNAMAPT
SCHEMBL16401383 0.81 HAO1 (0.47) HAO1NPC1PLK1RAB9AHSD17B3
SCHEMBL6755453 0.79 HSD17B3 (0.62) HAO1PLK1HSD17B3L3MBTL1HTR7
SCHEMBL2237478 0.79 KMT2A (0.60) NPC1RAB9AHSD17B3L3MBTL1HTR7
SCHEMBL13398659 0.79 L3MBTL1 (0.52) NPC1RAB9AL3MBTL1LMNAMAPT

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
US-5137889-A Hypotensive agents; coronary vasodilators; calcium antagonists; antiinflammatory agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-08-11 US disclosed
US-5034395-A Hypotensive agents, carboxylated dihydropyridines OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0145434-A2 Novel dihydropyridine derivatives and process for preparing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-06-19 EP disclosed