SCHEMBL9130795

SCHEMBL9130795

CCOC(=O)CCCCCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 5/20 0.50
CACNA1B Q00975 3/20 0.50
PLK1 P53350 1/20 0.48
MEN1 O00255 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
MAPK14 Q16539 2/20 0.44
NLRP3 Q96P20 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL9132468 0.96 CACNA1H (0.52) CACNA1HCACNA1BPLK1MEN1RAB9A
SCHEMBL9129427 0.89 PLK1 (0.61) CACNA1HCACNA1BPLK1MEN1RAB9A
SCHEMBL9130515 0.88 LMNA (0.58) CACNA1HCACNA1BMEN1RAB9AKMT2A
SCHEMBL9130582 0.88 CACNA1H (0.54) CACNA1HCACNA1BPLK1MEN1RAB9A
SCHEMBL9132216 0.86 CACNA1H (0.53) CACNA1HCACNA1BPLK1MEN1RAB9A
SCHEMBL9134929 0.85 PLK1 (0.47) PLK1MEN1RAB9AKMT2AMAPT
SCHEMBL9131666 0.84 PLK1 (0.46) PLK1MEN1RAB9AKMT2AMAPT
SCHEMBL9128760 0.83 PLK1 (0.46) PLK1MEN1RAB9AKMT2AMAPT
SCHEMBL9132696 0.82 CACNA1H (0.52) CACNA1HCACNA1BPLK1MEN1RAB9A
SCHEMBL9131526 0.81 L3MBTL1 (0.50) PLK1MEN1RAB9AKMT2AMAPT

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