SCHEMBL7302615

SCHEMBL7302615

CCCCc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.76
TRPV1 Q8NER1 5/20 0.72
KDM4E B2RXH2 2/20 0.67
SMN1; SMN2 Q16637 3/20 0.63
LMNA P02545 2/20 0.63
MAPT P10636 2/20 0.63
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
GALR3 O60755 1/20 0.62
HDAC3 O15379 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HPGD P15428 1/20 0.59
PLK1 P53350 1/20 0.59
ESRRG P62508 1/20 0.56
EPHX2 P34913 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
SCHEMBL28682559 0.90 NR1H4 (0.63) NR1H4TRPV1KDM4E
SCHEMBL28670399 0.87 SIRT1 (0.63) NR1H4TRPV1
SCHEMBL4326686 0.85 TRPV1 (0.76) NR1H4TRPV1KDM4ESMN1; SMN2NPC1
SCHEMBL8363015 0.85 TRPV1 (0.76) TRPV1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL5385421 0.85 TRPV1 (0.76) NR1H4TRPV1KDM4ENPC1RAB9A
SCHEMBL7301317 0.85 NR1H4 (0.73) NR1H4TRPV1KDM4ESMN1; SMN2LMNA
SCHEMBL10803698 0.84 TRPV1 (0.74) NR1H4TRPV1KDM4ESMN1; SMN2LMNA
SCHEMBL10112878 0.84 TRPV1 (0.74) NR1H4TRPV1KDM4ESMN1; SMN2LMNA
SCHEMBL13181111 0.84 TRPV1 (0.88) NR1H4TRPV1KDM4ESMN1; SMN2MAPT
SCHEMBL2784138 0.83 NR1H4 (0.58) NR1H4TRPV1KDM4ESMN1; SMN2LMNA

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