SCHEMBL9130894

SCHEMBL9130894

CCOC(=O)COc1ccc(C(=O)Nc2ccccc2Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
CACNA1H O95180 5/20 0.53
CACNA1B Q00975 4/20 0.53
RAB9A P51151 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.48
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NLRP3 Q96P20 1/20 0.46
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL9130515 0.89 LMNA (0.58) LMNAPOLBMAPTCACNA1HCACNA1B
SCHEMBL9129746 0.80 MAPT (0.52) LMNAPOLBMAPTCACNA1HCACNA1B
SCHEMBL9132468 0.79 CACNA1H (0.52) LMNAPOLBMAPTCACNA1HCACNA1B
SCHEMBL1251594 0.78 GAA (0.62) POLBMAPTMEN1KMT2AL3MBTL1
SCHEMBL9129497 0.78 LMNA (0.57) LMNAPOLBMAPTRAB9AMEN1
SCHEMBL9130553 0.77 LMNA (0.56) LMNAPOLBMAPTRAB9AMEN1
SCHEMBL9130795 0.77 CACNA1H (0.50) LMNAPOLBMAPTCACNA1HCACNA1B
SCHEMBL8770347 0.77 EPHX2 (0.51) LMNAPOLBMAPTRAB9AMEN1
SCHEMBL9131340 0.77 LMNA (0.55) LMNAPOLBMAPTRAB9AMEN1
SCHEMBL1668701 0.76 EPHX2 (0.59) LMNAPOLBMAPTRAB9ANPC1

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