SCHEMBL7301362

SCHEMBL7301362

CC(C)(C)c1ccc(NC(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.75
HDAC6 Q9UBN7 2/20 0.75
HDAC11 Q96DB2 1/20 0.75
HDAC8 Q9BY41 1/20 0.75
TRPV1 Q8NER1 5/20 0.73
NPC1 O15118 2/20 0.73
RAB9A P51151 2/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
NR1H4 Q96RI1 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
NAMPT P43490 1/20 0.61
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
KDM4E B2RXH2 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61

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
SCHEMBL7293270 1.00 HDAC3 (0.75) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL7303163 0.93 HDAC3 (0.86) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL11138236 0.89 HDAC3 (0.60) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL900928 0.87 DEGS1 (0.75) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8420639 0.87 DEGS1 (0.75) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL899585 0.87 DEGS1 (0.75) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23352874 0.86 HDAC3 (0.75) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL4131602 0.86 HDAC3 (0.75) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL3873116 0.86 NR1H4 (0.81) HDAC3HDAC6HDAC11HDAC8TRPV1
SCHEMBL1687867 0.86 NPC1 (0.79) HDAC3HDAC6HDAC11HDAC8TRPV1

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