SCHEMBL7303513

SCHEMBL7303513

C=CCOc1c(C)cc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.52
SMN1; SMN2 Q16637 8/20 0.51
MAPT P10636 7/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
POLB P06746 1/20 0.51
TP53 P04637 3/20 0.48
THRB P10828 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LMNA P02545 3/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KCNK3 O14649 1/20 0.46
TRPV1 Q8NER1 2/20 0.46

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 0.81 SMN1; SMN2 (0.76) NR1H4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7302094 0.81 SMN1; SMN2 (0.76) NR1H4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7296019 0.80 MAPT (0.64) NR1H4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7301498 0.79 NR1H4 (0.56) NR1H4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL18539815 0.77 POLB (0.38) SMN1; SMN2MAPTPOLBLMNA
SCHEMBL7303735 0.76 NR1H4 (0.47) NR1H4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7295416 0.76 ALDH1A1 (0.52) NR1H4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7295360 0.76 NR1H4 (0.60) NR1H4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6029460 0.75 KDM4E (0.53) NR1H4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7303695 0.74 NPC1 (0.54) NR1H4MAPTNPC1RAB9APOLB

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