SCHEMBL7303802

SCHEMBL7303802

COc1ccc(N)cc1NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.62
PPARG P37231 2/20 0.62
PPARA Q07869 2/20 0.62
MAPT P10636 7/20 0.62
ALDH1A1 P00352 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
DHODH Q02127 2/20 0.62
LMNA P02545 2/20 0.62
HPGD P15428 2/20 0.62
HTT P42858 2/20 0.62
KDM4E B2RXH2 3/20 0.59
NPY1R P25929 1/20 0.59
NPY2R P49146 1/20 0.59
RAB9A P51151 1/20 0.59
TP53 P04637 2/20 0.58
GAA P10253 2/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL14288429 0.92 CYP1A2 (0.63) NR1H4PPARGPPARAMAPTALDH1A1
SCHEMBL10605968 0.90 GAA (0.66) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL7291782 0.89 MAPT (0.62) NR1H4PPARGPPARAMAPTALDH1A1
SCHEMBL28863360 0.86 ALDH1A1 (0.62) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL29960935 0.86 GAA (0.61) MAPTALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL9335190 0.85 GAA (0.59) MAPTALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL7295108 0.85 TP53 (0.81) NR1H4PPARGPPARAMAPTALDH1A1
SCHEMBL11506084 0.85 HDAC1 (0.68) MAPTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL15345364 0.84 MAPT (0.65) NR1H4PPARGPPARAMAPTALDH1A1
Hydrochloric Acid SCHEMBL11414769 0.83 HDAC1 (0.67) MAPTALDH1A1SMN1; SMN2LMNAKDM4E

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