SCHEMBL7085622

SCHEMBL7085622

COc1cc(OC)cc(-c2cc(=O)c3cccc(CC(=O)O)c3o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.53
CYP1A1 P04798 4/20 0.51
CYP1B1 Q16678 4/20 0.51
CYP1A2 P05177 3/20 0.51
ABCB1 P08183 1/20 0.47
ABCC1 P33527 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
CYP3A4 P08684 5/20 0.47
CYP2C19 P33261 3/20 0.47
STAT6 P42226 1/20 0.47
KDM4E B2RXH2 4/20 0.46
LCK P06239 2/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 3/20 0.46
CYP2C9 P11712 2/20 0.46
GLA P06280 2/20 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
SCHEMBL12835493 0.93 CYP2D6 (0.49) CYP2D6CYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL12835290 0.91 CYP1A2 (0.59) CYP2D6CYP1A1CYP1B1CYP1A2ABCB1
Mitoflaxone SCHEMBL106705 0.84 CYP1A2 (0.62) CYP2D6CYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL9526692 0.82 HSD17B10 (0.53) CYP2D6CYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL9327677 0.82 CYP2D6 (0.53) CYP2D6CYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL12835503 0.82 CYP1A2 (0.60) CYP2D6CYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL7083153 0.81 CYP2D6 (0.54) CYP2D6CYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL9328729 0.81 CYP2D6 (0.49) CYP2D6CYP1A1CYP1B1CYP1A2ABCB1
SCHEMBL12835338 0.81 TDP1 (0.57) CYP2D6CYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL12835507 0.81 ALDH1A1 (0.70) CYP2D6CYP1A1CYP1B1CYP1A2CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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