SCHEMBL7086520

SCHEMBL7086520

O=C(O)Cc1cccc2c(=O)cc(-c3ccc(C(F)(F)F)cc3)oc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.55
CYP1A1 P04798 5/20 0.55
CYP1B1 Q16678 5/20 0.55
CYP2D6 P10635 4/20 0.55
CYP3A4 P08684 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2B6 P20813 2/20 0.55
CYP2E1 P05181 1/20 0.55
CYP2C8 P10632 1/20 0.55
CYP2A6 P11509 1/20 0.55
CYP4B1 P13584 1/20 0.55
CYP3A5 P20815 1/20 0.55
CYP2A7 P20853 1/20 0.55
CYP3A7 P24462 1/20 0.55
CYP2F1 P24903 1/20 0.55
CYP2C18 P33260 1/20 0.55
CYP2J2 P51589 1/20 0.55
CYP4F2 P78329 1/20 0.55
CYP4F8 P98187 1/20 0.55

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
SCHEMBL12835491 0.88 CYP2D6 (0.53) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL9327900 0.87 CYP1A2 (0.56) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL12835503 0.87 CYP1A2 (0.60) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
Mitoflaxone SCHEMBL106705 0.86 CYP1A2 (0.62) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL12835338 0.85 TDP1 (0.57) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL7087329 0.84 CYP1A2 (0.56) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL12835627 0.84 CYP2D6 (0.58) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL12835324 0.84 TNKS (0.59) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL12835505 0.84 CYP1A2 (0.56) CYP1A2CYP1A1CYP1B1CYP2D6CYP3A4
SCHEMBL7085632 0.82 CYP2D6 (0.53) 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 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