SCHEMBL9130582

SCHEMBL9130582

CC(=O)CCCCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 5/20 0.54
CACNA1B Q00975 3/20 0.54
MAPK14 Q16539 4/20 0.47
PLK1 P53350 1/20 0.47
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EZH2 Q15910 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA1D P25100 3/20 0.44
ADRA1A P35348 3/20 0.44
ADRA1B P35368 3/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
BACE1 P56817 1/20 0.44
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL9129427 0.89 PLK1 (0.61) CACNA1HCACNA1BMAPK14PLK1RAB9A
SCHEMBL9132216 0.88 CACNA1H (0.53) CACNA1HCACNA1BMAPK14PLK1RAB9A
SCHEMBL9130795 0.88 CACNA1H (0.50) CACNA1HCACNA1BMAPK14PLK1RAB9A
SCHEMBL9132696 0.86 CACNA1H (0.52) CACNA1HCACNA1BMAPK14PLK1RAB9A
SCHEMBL9132468 0.85 CACNA1H (0.52) CACNA1HCACNA1BMAPK14PLK1RAB9A
SCHEMBL9130724 0.83 PLK1 (0.46) CACNA1HCACNA1BPLK1CYP3A4BCHE
SCHEMBL9130515 0.80 LMNA (0.58) CACNA1HCACNA1BMAPK14RAB9AMEN1
SCHEMBL9130762 0.78 GPBAR1 (0.54) MAPK14
SCHEMBL9132805 0.75 PLK1 (0.59) CACNA1HCACNA1BPLK1RAB9AMEN1
SCHEMBL9713320 0.73 PLK1 (0.64) CACNA1HCACNA1BPLK1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399703-A Antiallergens NIPPON SHINYAKU COMPANY, LIMITED (JP) 1995-03-21 US disclosed
EP-0536400-A1 TETRAZOLE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-04-14 EP disclosed