SCHEMBL7300696

SCHEMBL7300696

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 13/20 1.00
SMN1; SMN2 Q16637 3/20 0.74
LMNA P02545 2/20 0.74
MAPT P10636 2/20 0.74
EPHX2 P34913 1/20 0.69
HDAC3 O15379 1/20 0.65
HDAC11 Q96DB2 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
TRPV1 Q8NER1 1/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
PTGDR2 Q9Y5Y4 1/20 0.62

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
SCHEMBL9182263 0.87 NR1H4 (0.76) NR1H4SMN1; SMN2LMNAMAPT
SCHEMBL4659050 0.85 NR1H4 (0.74) NR1H4SMN1; SMN2LMNAMAPTEPHX2
SCHEMBL7303163 0.85 HDAC3 (0.86) NR1H4SMN1; SMN2LMNAMAPTHDAC3
SCHEMBL10685426 0.84 NR1H4 (0.73) NR1H4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7301317 0.84 NR1H4 (0.73) NR1H4SMN1; SMN2LMNAMAPTEPHX2
SCHEMBL840854 0.83 NR1H4 (0.70) NR1H4SMN1; SMN2LMNAMAPTEPHX2
SCHEMBL3873116 0.82 NR1H4 (0.81) NR1H4SMN1; SMN2EPHX2HDAC3HDAC11
SCHEMBL8143801 0.82 NR1H4 (0.82) NR1H4NPC1RAB9A
SCHEMBL7297239 0.82 NR1H4 (0.81) NR1H4SMN1; SMN2EPHX2HDAC3HDAC11
Methane SCHEMBL17237476 0.82 NR1H4 (0.68) NR1H4SMN1; SMN2LMNAMAPTEPHX2

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