SCHEMBL7301317

SCHEMBL7301317

CCc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.73
SMN1; SMN2 Q16637 3/20 0.69
MAPT P10636 3/20 0.69
LMNA P02545 2/20 0.69
HDAC3 O15379 1/20 0.69
HDAC11 Q96DB2 1/20 0.69
HDAC8 Q9BY41 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
TRPV1 Q8NER1 5/20 0.67
RAB9A P51151 2/20 0.67
NPC1 O15118 1/20 0.67
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 2/20 0.61
EPHX2 P34913 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
HPGD P15428 1/20 0.61
CYP2C19 P33261 1/20 0.61
ALDH1A1 P00352 2/20 0.60

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
SCHEMBL28566157 0.89 SIRT1 (0.62) NR1H4SMN1; SMN2MAPTLMNAHDAC3
SCHEMBL7303163 0.88 HDAC3 (0.86) NR1H4SMN1; SMN2MAPTLMNAHDAC3
SCHEMBL12264103 0.87 RAB9A (0.65) NR1H4SMN1; SMN2MAPTLMNATRPV1
SCHEMBL7302615 0.85 NR1H4 (0.76) NR1H4SMN1; SMN2MAPTLMNAHDAC3
SCHEMBL7300696 0.84 NR1H4 (1.00) NR1H4SMN1; SMN2MAPTLMNAHDAC3
SCHEMBL13762077 0.84 HDAC3 (0.69) NR1H4SMN1; SMN2MAPTLMNAHDAC3
SCHEMBL16607007 0.83 ALDH1A1 (0.69) NR1H4SMN1; SMN2LMNATRPV1RAB9A
SCHEMBL5380043 0.83 HDAC6 (0.63) SMN1; SMN2MAPTHDAC3HDAC11HDAC8
SCHEMBL8361567 0.83 NPC1 (0.76) SMN1; SMN2MAPTLMNATRPV1RAB9A
SCHEMBL16610194 0.83 DEGS1 (0.61) SMN1; SMN2MAPTLMNATRPV1RAB9A

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 3 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
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP disclosed