SCHEMBL7301353

SCHEMBL7301353

CC(O)Oc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.65
HDAC3 O15379 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
NR1H4 Q96RI1 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
TP53 P04637 4/20 0.57
MAPT P10636 4/20 0.57
LMNA P02545 3/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MCL1 Q07820 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MAPK1 P28482 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CA1 P00915 1/20 0.55

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
SCHEMBL7294862 0.91 TRPV1 (0.68) TRPV1HDAC3HDAC11HDAC8HDAC6
SCHEMBL7303163 0.83 HDAC3 (0.86) TRPV1HDAC3HDAC11HDAC8HDAC6
SCHEMBL7304276 0.82 NPC1 (0.81) TRPV1HDAC3HDAC11HDAC8HDAC6
SCHEMBL7301192 0.82 NPC1 (0.81) TRPV1HDAC3HDAC11HDAC8HDAC6
SCHEMBL2546366 0.81 NR1H4 (0.46) NR1H4SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14860277 0.80 MAPT (0.62) TRPV1NR1H4SMN1; SMN2NPC1RAB9A
SCHEMBL7296425 0.79 NR1H4 (0.76) TRPV1HDAC3HDAC11HDAC8HDAC6
SCHEMBL7302042 0.79 HDAC3 (0.73) TRPV1HDAC3HDAC11HDAC8HDAC6
SCHEMBL7302201 0.78 NPC1 (0.74) TRPV1HDAC3HDAC11HDAC8HDAC6
SCHEMBL30994893 0.78 PGR (0.74) TRPV1HDAC3HDAC11HDAC8HDAC6

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