SCHEMBL7082092

SCHEMBL7082092

CC(=Cc1ccc(S(=O)(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C.[NaH]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 19/20 0.69
RARB P10826 17/20 0.69
RARA P10276 16/20 0.69
RXRA P19793 13/20 0.69
KDM4E B2RXH2 1/20 0.69
NPC1 O15118 1/20 0.69
CYP26A1 O43174 1/20 0.69
GMNN O75496 1/20 0.69
USP2 O75604 1/20 0.69
ALDH1A1 P00352 1/20 0.69
LMNA P02545 1/20 0.69
TP53 P04637 1/20 0.69
CYP1A2 P05177 1/20 0.69
POLB P06746 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
NFKB1 P19838 1/20 0.69
CYP2C19 P33261 1/20 0.69
THPO P40225 1/20 0.69
MTOR P42345 1/20 0.69

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
SCHEMBL5084239 0.99 RARG (0.70) RARGRARBRARARXRAKDM4E
SCHEMBL5084232 0.99 RARG (0.70) RARGRARBRARARXRAKDM4E
SCHEMBL7085649 0.90 RARG (0.72) RARGRARBRARARXRAKDM4E
SCHEMBL9007208 0.90 RARG (0.72) RARGRARBRARARXRAKDM4E
SCHEMBL9007203 0.90 RARG (0.72) RARGRARBRARARXRAKDM4E
Sumarotene SCHEMBL449752 0.89 RARG (0.70) RARGRARBRARARXRAKDM4E
Sumarotene SCHEMBL7062910 0.89 RARG (0.70) RARGRARBRARARXRAKDM4E
SCHEMBL11120779 0.88 RARG (0.70) RARGRARBRARARXRAKDM4E
SCHEMBL7087386 0.88 RARG (0.70) RARGRARBRARARXRAKDM4E
SCHEMBL7082090 0.88 RARG (0.69) RARGRARBRARARXRAKDM4E

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
US-4396553-A Tetrahydronaphthalene and indane compounds useful as anti-tumor agents HOFFMANN-LA ROCHE INC. (US) 1983-08-02 US claimed
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