SCHEMBL7083153

SCHEMBL7083153

Cc1cccc(-c2cc(=O)c3cccc(CC(=O)O)c3o2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.54
CYP3A4 P08684 7/20 0.52
TP53 P04637 6/20 0.52
MAPT P10636 6/20 0.52
MAPK1 P28482 5/20 0.52
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 5/20 0.52
HSD17B10 Q99714 5/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 4/20 0.51
CYP2C19 P33261 3/20 0.51
STAT6 P42226 1/20 0.51
GLA P06280 1/20 0.50
STING1 Q86WV6 1/20 0.50
RECQL P46063 2/20 0.48
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CYP1A1 P04798 3/20 0.46

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
Mitoflaxone SCHEMBL106705 0.89 CYP1A2 (0.62) CYP2D6CYP3A4TP53MAPTMAPK1
SCHEMBL12835503 0.86 CYP1A2 (0.60) CYP2D6CYP3A4TP53MAPTMAPK1
SCHEMBL12835531 0.85 CYP1A2 (0.54) CYP2D6CYP3A4TP53MAPTMAPK1
SCHEMBL7083117 0.85 CYP1A2 (0.59) CYP2D6CYP3A4TP53MAPTMAPK1
SCHEMBL9328614 0.85 CYP1A2 (0.59) CYP2D6CYP3A4TP53MAPTMAPK1
SCHEMBL12835493 0.84 CYP2D6 (0.49) CYP2D6CYP3A4TP53MAPTMAPK1
SCHEMBL12835629 0.83 CYP2D6 (0.53) CYP2D6CYP3A4TP53MAPTMAPK1
SCHEMBL9526792 0.83 NQO2 (0.53) CYP2D6CYP3A4TP53MAPTMAPK1
SCHEMBL12835338 0.82 TDP1 (0.57) CYP2D6CYP3A4TP53MAPTMAPK1
SCHEMBL7085632 0.82 CYP2D6 (0.53) CYP2D6CYP3A4TP53MAPTMAPK1

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