SCHEMBL7083117

SCHEMBL7083117

O=C(O)Cc1cccc2c(=O)cc(-c3cccc(Cl)c3)oc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.59
CYP1A1 P04798 6/20 0.59
CYP1B1 Q16678 6/20 0.59
GABRP O00591 6/20 0.55
GABRD O14764 6/20 0.55
GABRA1 P14867 6/20 0.55
GABRB1 P18505 6/20 0.55
GABRG2 P18507 6/20 0.55
GABRB3 P28472 6/20 0.55
GABRA5 P31644 6/20 0.55
GABRA3 P34903 6/20 0.55
GABRA2 P47869 6/20 0.55
GABRB2 P47870 6/20 0.55
GABRA4 P48169 6/20 0.55
GABRE P78334 6/20 0.55
GABRA6 Q16445 6/20 0.55
GABRG1 Q8N1C3 6/20 0.55
GABRG3 Q99928 6/20 0.55
GABRQ Q9UN88 6/20 0.55
CYP2D6 P10635 3/20 0.52

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
SCHEMBL12835505 0.89 CYP1A2 (0.56) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
Mitoflaxone SCHEMBL106705 0.89 CYP1A2 (0.62) CYP1A2CYP1A1CYP1B1GABRPGABRD
SCHEMBL12835503 0.86 CYP1A2 (0.60) CYP1A2CYP1A1CYP1B1GABRPGABRD
SCHEMBL7083153 0.85 CYP2D6 (0.54) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL12835531 0.85 CYP1A2 (0.54) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL9328614 0.85 CYP1A2 (0.59) CYP1A2CYP1A1CYP1B1GABRPGABRD
SCHEMBL9327546 0.84 CYP1A2 (0.58) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL12835629 0.83 CYP2D6 (0.53) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL12835338 0.82 TDP1 (0.57) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL7087329 0.81 CYP1A2 (0.56) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4

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