SCHEMBL7301498

SCHEMBL7301498

C=CCOc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.56
MAPT P10636 3/20 0.52
NPC1 O15118 2/20 0.52
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 1/20 0.52
CHRNB2 P17787 5/20 0.50
CHRNB4 P30926 5/20 0.50
CHRNA3 P32297 5/20 0.50
CHRNA4 P43681 5/20 0.50
MCHR1 Q99705 1/20 0.47
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SERPINE1 P05121 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
SCHEMBL7291413 0.82 SMN1; SMN2 (0.76) NR1H4MAPTNPC1POLBSMN1; SMN2
SCHEMBL7302094 0.82 SMN1; SMN2 (0.76) NR1H4MAPTNPC1POLBSMN1; SMN2
SCHEMBL7303735 0.81 NR1H4 (0.47) NR1H4MAPTNPC1POLBSMN1; SMN2
SCHEMBL7296019 0.80 MAPT (0.64) NR1H4MAPTNPC1POLBSMN1; SMN2
SCHEMBL7295416 0.79 ALDH1A1 (0.52) NR1H4MAPTNPC1POLBSMN1; SMN2
SCHEMBL7303513 0.79 NR1H4 (0.52) NR1H4MAPTNPC1POLBSMN1; SMN2
SCHEMBL6029460 0.78 KDM4E (0.53) NR1H4MAPTNPC1POLBSMN1; SMN2
SCHEMBL6740785 0.77 ALDH1A1 (0.64) NR1H4MAPTNPC1POLBSMN1; SMN2
SCHEMBL7303695 0.77 NPC1 (0.54) NR1H4MAPTNPC1POLBRAB9A
SCHEMBL7297398 0.76 SERPINE1 (0.54) NR1H4MAPTNPC1POLBSMN1; SMN2

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
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed