SCHEMBL7085632

SCHEMBL7085632

CC(=O)c1ccc(-c2cc(=O)c3cccc(CC(=O)O)c3o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.53
CYP3A4 P08684 4/20 0.50
CYP1A2 P05177 4/20 0.50
CYP2C19 P33261 3/20 0.50
STAT6 P42226 1/20 0.50
TNKS O95271 3/20 0.47
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
CYSLTR1 Q9Y271 1/20 0.46
GLA P06280 1/20 0.46
STING1 Q86WV6 1/20 0.46
PRKDC P78527 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
CYP19A1 P11511 3/20 0.43
HPGD P15428 3/20 0.43
CYP1A1 P04798 3/20 0.43
CYP1B1 Q16678 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 2/20 0.43

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
SCHEMBL12835324 0.90 TNKS (0.59) CYP2D6CYP3A4CYP1A2CYP2C19STAT6
SCHEMBL9526684 0.88 CYP2D6 (0.56) CYP2D6CYP3A4CYP1A2CYP2C19STAT6
SCHEMBL7085634 0.88 CYP2D6 (0.53) CYP2D6CYP3A4CYP1A2CYP2C19STAT6
SCHEMBL12835503 0.88 CYP1A2 (0.60) CYP2D6CYP3A4CYP1A2CYP2C19STAT6
Mitoflaxone SCHEMBL106705 0.87 CYP1A2 (0.62) CYP2D6CYP3A4CYP1A2CYP2C19STAT6
SCHEMBL12835338 0.86 TDP1 (0.57) CYP2D6CYP3A4CYP1A2CYP2C19STAT6
SCHEMBL12835627 0.85 CYP2D6 (0.58) CYP2D6CYP3A4CYP1A2CYP2C19STAT6
SCHEMBL9327900 0.85 CYP1A2 (0.56) CYP2D6CYP3A4CYP1A2CYP2C19STAT6
SCHEMBL12835505 0.85 CYP1A2 (0.56) CYP2D6CYP3A4CYP1A2CYP2C19STAT6
SCHEMBL7083102 0.85 CYP2D6 (0.51) CYP2D6CYP3A4CYP1A2CYP2C19STAT6

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