SCHEMBL7548491

SCHEMBL7548491

CCOC(=O)c1ccc(C=C(C)c2cc(OC)c3c(c2)C(C)(C)CC3(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 15/20 0.47
RARG P13631 15/20 0.47
RARA P10276 14/20 0.47
HSD17B2 P37059 1/20 0.44
RXRA P19793 4/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
CYP26A1 O43174 1/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42
THPO P40225 1/20 0.42

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
SCHEMBL7548487 1.00 RARB (0.47) RARBRARGRARAHSD17B2RXRA
SCHEMBL7547905 0.84 RARB (0.59) RARBRARGRARARXRAKDM4E
SCHEMBL7547910 0.84 RARB (0.59) RARBRARGRARARXRAKDM4E
SCHEMBL10841202 0.78 RARB (0.62) RARBRARGRARARXRAKDM4E
SCHEMBL10841205 0.78 RARB (0.62) RARBRARGRARARXRAKDM4E
SCHEMBL8766303 0.78 RARB (0.76) RARBRARGRARAHSD17B2RXRA
SCHEMBL8766428 0.78 RARB (0.76) RARBRARGRARAHSD17B2RXRA
SCHEMBL8766425 0.78 RARB (0.76) RARBRARGRARAHSD17B2RXRA
Arotinoid SCHEMBL2890176 0.77 RARG (0.70) RARBRARGRARARXRAKDM4E
Arotinoid SCHEMBL2890175 0.77 RARG (0.70) RARBRARGRARARXRAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4326055-A ANTITUMOR AGENTS, SKIN DISORDERS, RHEUMATIC DISEASES HOFFMANN-LA ROCHE INC. (US) 1982-04-20 US claimed
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
US-4326055-A ANTITUMOR AGENTS, SKIN DISORDERS, RHEUMATIC DISEASES HOFFMANN-LA ROCHE INC. (US) 1982-04-20 US disclosed