SCHEMBL7302201

SCHEMBL7302201

CCOc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.74
ALDH1A1 P00352 2/20 0.74
KDM4E B2RXH2 1/20 0.74
CYP1A2 P05177 1/20 0.74
SMN1; SMN2 Q16637 6/20 0.72
RAB9A P51151 4/20 0.72
TP53 P04637 1/20 0.72
MAPT P10636 6/20 0.68
LMNA P02545 3/20 0.68
KMT2A Q03164 3/20 0.68
POLB P06746 1/20 0.67
EPHX2 P34913 1/20 0.67
NR1H4 Q96RI1 1/20 0.67
TRPV1 Q8NER1 3/20 0.66
HDAC3 O15379 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
ALOX15 P16050 1/20 0.62
HSD17B10 Q99714 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
SCHEMBL9695914 0.89 MAPT (0.73) NPC1ALDH1A1KDM4ECYP1A2SMN1; SMN2
SCHEMBL7294717 0.89 MAPT (0.73) NPC1ALDH1A1KDM4ECYP1A2SMN1; SMN2
SCHEMBL14096543 0.87 ALDH1A1 (0.63) NPC1ALDH1A1KDM4ECYP1A2SMN1; SMN2
SCHEMBL7301532 0.87 MAPT (0.70) NPC1ALDH1A1KDM4ECYP1A2SMN1; SMN2
SCHEMBL8770633 0.86 NPC1 (0.80) NPC1ALDH1A1KDM4ECYP1A2SMN1; SMN2
SCHEMBL7294640 0.86 TRPV1 (0.63) NPC1ALDH1A1KDM4ECYP1A2SMN1; SMN2
SCHEMBL7302398 0.86 SMN1; SMN2 (0.72) NPC1ALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL10880536 0.85 NPC1 (0.78) NPC1ALDH1A1KDM4ECYP1A2SMN1; SMN2
SCHEMBL8361562 0.85 NPC1 (0.78) NPC1ALDH1A1KDM4ECYP1A2SMN1; SMN2
SCHEMBL7303163 0.84 HDAC3 (0.86) NPC1KDM4ECYP1A2SMN1; SMN2RAB9A

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