SCHEMBL7081709

SCHEMBL7081709

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.52
CYP2D6 P10635 2/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GLA P06280 1/20 0.43
STING1 Q86WV6 1/20 0.43
CYP3A4 P08684 3/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
STAT6 P42226 1/20 0.42
PARP14 Q460N5 3/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.39
MAOA P21397 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39

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 0.82 CYP3A4 (0.60) CYP2D6KDM4EALDH1A1SMN1; SMN2GLA
SCHEMBL7083102 0.81 CYP2D6 (0.51) GPR35CYP2D6KDM4EALDH1A1SMN1; SMN2
SCHEMBL7085772 0.81 CYP3A4 (0.48) CYP2D6KDM4EALDH1A1GLASTING1
SCHEMBL7086254 0.81 CYP1A2 (0.58) CYP2D6KDM4EALDH1A1SMN1; SMN2GLA
SCHEMBL9330744 0.81 CYP1A2 (0.58) CYP2D6KDM4EALDH1A1SMN1; SMN2GLA
SCHEMBL9526792 0.80 NQO2 (0.53) GPR35CYP2D6KDM4EALDH1A1SMN1; SMN2
SCHEMBL12835507 0.80 ALDH1A1 (0.70) CYP2D6KDM4EALDH1A1SMN1; SMN2GLA
SCHEMBL12835345 0.79 CYP3A4 (0.52) CYP2D6KDM4EALDH1A1GLASTING1
Mitoflaxone SCHEMBL106705 0.79 CYP1A2 (0.62) CYP2D6KDM4EALDH1A1SMN1; SMN2GLA
SCHEMBL9329003 0.77 CYP1A2 (0.48) CYP2D6KDM4EALDH1A1SMN1; SMN2GLA

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 6 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