SCHEMBL7083102

SCHEMBL7083102

CC(=O)Nc1ccc(-c2cc(=O)c3cccc(CC(=O)O)c3o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.51
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
STAT6 P42226 1/20 0.47
PRKDC P78527 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
NPY1R P25929 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR35 Q9HC97 1/20 0.45
CDK1 P06493 2/20 0.44
CCNB1 P14635 2/20 0.44

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
SCHEMBL9526792 0.90 NQO2 (0.53) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
SCHEMBL7085632 0.85 CYP2D6 (0.53) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
SCHEMBL12835503 0.85 CYP1A2 (0.60) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
Mitoflaxone SCHEMBL106705 0.84 CYP1A2 (0.62) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
SCHEMBL12835338 0.83 TDP1 (0.57) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
SCHEMBL9327900 0.82 CYP1A2 (0.56) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
SCHEMBL12835627 0.82 CYP2D6 (0.58) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
SCHEMBL12835505 0.82 CYP1A2 (0.56) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
SCHEMBL12835324 0.82 TNKS (0.59) CYP2D6CYP1A2CYP3A4CYP2C19STAT6
SCHEMBL12835290 0.82 CYP1A2 (0.59) CYP2D6CYP1A2CYP3A4CYP2C19STAT6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011023287-A1 USE OF FAA AND ITS DERIVATIVES IN COSMETICS AND DERMATOLOGY MERCK PATENT GMBH (DE) 2011-03-03 WO disclosed
EP-1328262-A2 A METHOD TO INCORPORATE N-(4-HYDROXYPHENYL) RETINAMIDE IN LIPOSOMES Board of Regents, The University of Texas System (US) 2003-07-23 EP disclosed
US-20020143062-A1 Method to incorporate N-(4-hydroxyphenyl) retinamide in liposomes BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-10-03 US disclosed
WO-2002032413-A2 A METHOD TO INCORPORATE N-(4-HYDROXYPHENYL) RETINAMIDE IN LIPOSOMES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-04-25 WO disclosed
US-5116954-A Antitumor agents LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1992-05-26 US disclosed