SCHEMBL7302137

SCHEMBL7302137

COc1ccc(CNC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 1.00
NR1H4 Q96RI1 10/20 1.00
RAB9A P51151 4/20 1.00
NPC1 O15118 3/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
HDAC3 O15379 1/20 0.71
HDAC8 Q9BY41 1/20 0.71
HDAC6 Q9UBN7 1/20 0.71
CYP1A2 P05177 1/20 0.69
CYP2C19 P33261 1/20 0.69
LMNA P02545 1/20 0.68
ALDH1A1 P00352 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MAPT P10636 1/20 0.68

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
SCHEMBL11761142 0.91 NPC1 (0.82) EPHX2NR1H4RAB9ANPC1MEN1
SCHEMBL9416606 0.91 NPC1 (0.82) EPHX2NR1H4RAB9ANPC1MEN1
SCHEMBL22059478 0.85 EPHX2 (0.79) EPHX2NR1H4RAB9ANPC1MEN1
SCHEMBL25442568 0.85 NPC1 (0.74) EPHX2NR1H4RAB9ANPC1MEN1
SCHEMBL5863585 0.85 NPC1 (0.74) EPHX2NR1H4RAB9ANPC1MEN1
SCHEMBL12215290 0.85 NPC1 (0.74) EPHX2NR1H4RAB9ANPC1MEN1
SCHEMBL4152960 0.84 NPC1 (0.72) EPHX2NR1H4RAB9ANPC1MEN1
SCHEMBL15886556 0.84 NPC1 (0.74) EPHX2NR1H4RAB9ANPC1MEN1
SCHEMBL5656941 0.84 NPC1 (0.74) EPHX2NR1H4RAB9ANPC1MEN1
SCHEMBL16562244 0.84 RAB9A (0.74) EPHX2NR1H4RAB9ANPC1MEN1

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