SCHEMBL7085772

SCHEMBL7085772

Nc1ccccc1-c1cc(=O)c2cccc(CC(=O)O)c2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.48
CYP2D6 P10635 4/20 0.48
CYP2C19 P33261 4/20 0.48
CYP1A2 P05177 3/20 0.48
STAT6 P42226 1/20 0.48
GLA P06280 1/20 0.44
STING1 Q86WV6 1/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2C9 P11712 2/20 0.42
ALOX15 P16050 2/20 0.42
RECQL P46063 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A1 P04798 2/20 0.41

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
SCHEMBL12835307 0.86 CYP3A4 (0.60) CYP3A4CYP2D6CYP2C19CYP1A2STAT6
SCHEMBL9330744 0.85 CYP1A2 (0.58) CYP3A4CYP2D6CYP2C19CYP1A2STAT6
SCHEMBL7086254 0.85 CYP1A2 (0.58) CYP3A4CYP2D6CYP2C19CYP1A2STAT6
Mitoflaxone SCHEMBL106705 0.83 CYP1A2 (0.62) CYP3A4CYP2D6CYP2C19CYP1A2STAT6
SCHEMBL12835507 0.82 ALDH1A1 (0.70) CYP3A4CYP2D6CYP2C19CYP1A2STAT6
SCHEMBL9329003 0.82 CYP1A2 (0.48) CYP3A4CYP2D6CYP2C19CYP1A2STAT6
SCHEMBL12835627 0.81 CYP2D6 (0.58) CYP3A4CYP2D6CYP2C19CYP1A2STAT6
SCHEMBL12835496 0.81 ALDH1A1 (0.58) CYP3A4CYP2D6CYP2C19CYP1A2STAT6
SCHEMBL12835345 0.81 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C19CYP1A2STAT6
SCHEMBL12835503 0.81 CYP1A2 (0.60) CYP3A4CYP2D6CYP2C19CYP1A2STAT6

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 7 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
EP-0341104-B1 Substituted flavonoid compounds, their salts, their manufacture and medicines containing these materials MERCK PATENT GMBH (DE) 1993-12-29 EP disclosed
US-5116954-A Antitumor agents LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1992-05-26 US disclosed
EP-0341104-A2 Substituted flavonoid compounds, their salts, their manufacture and medicines containing these materials MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed