SCHEMBL7300689

SCHEMBL7300689

Cc1cc(C)cc(NC(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.64
HDAC3 O15379 3/20 0.63
HDAC6 Q9UBN7 3/20 0.63
HDAC8 Q9BY41 2/20 0.63
HDAC11 Q96DB2 1/20 0.63
KCNK9 Q9NPC2 1/20 0.62
THRB P10828 2/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
TRPV1 Q8NER1 3/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
LMNA P02545 2/20 0.59
TP53 P04637 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NR1H4 Q96RI1 2/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
ATM Q13315 1/20 0.56
TDP1 Q9NUW8 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
SCHEMBL13719742 0.85 NPC1 (0.74) THRBSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7293743 0.85 KCNK3 (0.86) KCNK3HDAC3HDAC6HDAC8KCNK9
SCHEMBL15149881 0.85 MEN1 (0.49) KCNK3HDAC3HDAC6HDAC8HDAC11
SCHEMBL2348653 0.85 SIRT1 (0.57) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL7291713 0.84 NPC1 (0.79) HDAC3HDAC6HDAC8HDAC11SMN1; SMN2
SCHEMBL1687867 0.84 NPC1 (0.79) HDAC3HDAC6HDAC8HDAC11SMN1; SMN2
SCHEMBL7293746 0.84 NPC1 (0.79) HDAC3HDAC6HDAC8HDAC11SMN1; SMN2
SCHEMBL7303163 0.83 HDAC3 (0.86) HDAC3HDAC6HDAC8HDAC11SMN1; SMN2
SCHEMBL7295360 0.83 NR1H4 (0.60) KCNK3HDAC3HDAC6HDAC8HDAC11
SCHEMBL16678174 0.83 HDAC3 (0.73) HDAC3HDAC6HDAC8HDAC11KCNK9

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