SCHEMBL7301589

SCHEMBL7301589

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.67
ENPP3 O14638 1/20 0.67
TRPV1 Q8NER1 6/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
HDAC3 O15379 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
MAPT P10636 3/20 0.58
ALDH1A1 P00352 1/20 0.58
RECQL P46063 1/20 0.58
TP53 P04637 3/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL9696113 1.00 ENPP1 (0.67) ENPP1ENPP3TRPV1MEN1KMT2A
SCHEMBL7303163 0.83 HDAC3 (0.86) TRPV1MEN1KMT2ACA1CA2
SCHEMBL7301192 0.82 NPC1 (0.81) TRPV1MEN1KMT2AHDAC3HDAC11
SCHEMBL7304276 0.82 NPC1 (0.81) TRPV1MEN1KMT2AHDAC3HDAC11
SCHEMBL2990592 0.81 CA1 (0.68) ENPP1ENPP3MEN1KMT2ACA1
SCHEMBL7294862 0.79 TRPV1 (0.68) TRPV1MEN1KMT2AHDAC3HDAC11
SCHEMBL7302201 0.78 NPC1 (0.74) TRPV1MEN1KMT2AHDAC3HDAC11
SCHEMBL30994893 0.78 PGR (0.74) TRPV1MEN1KMT2AHDAC3HDAC11
SCHEMBL557111 0.77 HDAC6 (0.71) ENPP1TRPV1MEN1KMT2ACA1
SCHEMBL3882727 0.77 HDAC3 (0.71) TRPV1MEN1KMT2ACA1CA2

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