SCHEMBL7302398

SCHEMBL7302398

CC(C)(C)c1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.72
NR1H4 Q96RI1 5/20 0.68
EPHX2 P34913 1/20 0.68
TRPV1 Q8NER1 5/20 0.63
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
HDAC3 O15379 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
NPC1 O15118 2/20 0.58
RAB9A P51151 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58

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
SCHEMBL22192690 0.90 KMT2A (0.72) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL7302201 0.86 NPC1 (0.74) SMN1; SMN2NR1H4EPHX2TRPV1KMT2A
SCHEMBL10428818 0.86 NPC1 (0.74) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL21588757 0.85 KMT2A (0.65) NR1H4KMT2AMEN1HDAC3HDAC11
SCHEMBL7291792 0.85 NR1H4 (0.69) SMN1; SMN2NR1H4TRPV1KMT2AMEN1
SCHEMBL1283871 0.85 SMN1; SMN2 (1.00) SMN1; SMN2NR1H4EPHX2KMT2AMEN1
SCHEMBL21588706 0.84 MEN1 (0.64) TRPV1KMT2AMEN1ALDH1A1NPC1
SCHEMBL7301532 0.84 MAPT (0.70) SMN1; SMN2NR1H4EPHX2TRPV1KMT2A
SCHEMBL22192225 0.84 KMT2A (0.66) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL4640626 0.83 SMN1; SMN2 (0.96) SMN1; SMN2NR1H4EPHX2KMT2AMEN1

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