SCHEMBL7298481

SCHEMBL7298481

Clc1ccc2c(c1)[C]CCO2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 4/20 0.42
AHR P35869 2/20 0.39
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
MAOB P27338 1/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CHEK1 O14757 1/20 0.34
ADRA2A P08913 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
SCHEMBL7298128 0.85 MAP3K14 (0.42) MAP3K14AHRPIK3CAPIK3CBPIK3CG
SCHEMBL9584128 0.77 ALDH1A1 (0.44) PIK3CAPIK3CBPIK3CGNPC1RAB9A
SCHEMBL9585550 0.77 FABP6 (0.40) PIK3CAPIK3CBPIK3CGMAOBNPC1
SCHEMBL7291678 0.77 MAPT (0.48) AHRPIK3CAPIK3CBPIK3CGMAOB
SCHEMBL577551 0.77 FABP6 (0.40) PIK3CAPIK3CBPIK3CGMAOBNPC1
SCHEMBL578279 0.74 RAB9A (0.41) NPC1RAB9A
SCHEMBL9586832 0.74 RAB9A (0.41) NPC1RAB9A
SCHEMBL7289620 0.73 PKM (0.38) MAOBNPC1RAB9A
SCHEMBL7297788 0.73 MAPT (0.38) PIK3CAPIK3CBPIK3CGNPC1RAB9A
SCHEMBL1492679 0.73 PARP1 (0.40) NPC1RAB9A

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-5260444-A Cardiovascular, hypotensive WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-11-09 US disclosed
US-5208245-A Hypotensive agents WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-05-04 US disclosed
EP-0460418-A2 Novel Dihydropyridine derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-12-11 EP disclosed