SCHEMBL7083145

SCHEMBL7083145

CC(=Cc1ccc(CO)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 20/20 0.71
RARB P10826 18/20 0.71
RARA P10276 17/20 0.71
RXRA P19793 12/20 0.71
KDM4E B2RXH2 1/20 0.71
NPC1 O15118 1/20 0.71
CYP26A1 O43174 1/20 0.71
GMNN O75496 1/20 0.71
USP2 O75604 1/20 0.71
ALDH1A1 P00352 1/20 0.71
LMNA P02545 1/20 0.71
TP53 P04637 1/20 0.71
CYP1A2 P05177 1/20 0.71
POLB P06746 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
NFKB1 P19838 1/20 0.71
CYP2C19 P33261 1/20 0.71
THPO P40225 1/20 0.71
MTOR P42345 1/20 0.71

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
SCHEMBL9007206 1.00 RARG (0.71) RARGRARBRARARXRAKDM4E
SCHEMBL7083141 1.00 RARG (0.71) RARGRARBRARARXRAKDM4E
SCHEMBL11225183 0.91 RARG (0.67) RARGRARBRARARXRAKDM4E
SCHEMBL11503237 0.89 RARG (0.68) RARGRARBRARARXRAKDM4E
SCHEMBL7085845 0.87 RARG (0.65) RARGRARBRARARXRAKDM4E
SCHEMBL7085841 0.87 RARG (0.65) RARGRARBRARARXRAKDM4E
SCHEMBL11250453 0.87 RARG (0.65) RARGRARBRARARXRAKDM4E
SCHEMBL11213589 0.87 RARG (0.65) RARGRARBRARARXRAKDM4E
SCHEMBL10624409 0.86 RARG (0.64) RARGRARBRARARXRAKDM4E
SCHEMBL10624389 0.86 RARG (0.64) 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 15 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
EP-0002742-A1 Stilbene derivatives, their preparation and medicines containing these stilbene derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-07-11 EP 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
US-5534261-A Retinoid-based compositions and method for preventing adhesion formation using the same UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1996-07-09 US disclosed
EP-0176050-B1 PHOSPHORIC ACID VINYL BENZYL ESTERS, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1989-01-25 EP disclosed
US-4659701-A Vinylbenzyl phosphates, and their use for treating dermalogical disorders BASF AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed
EP-0176050-A2 Phosphoric acid vinyl benzyl esters, their preparation and use BASF Aktiengesellschaft (DE) 1986-04-02 EP disclosed
EP-0021339-B1 SUGAR ESTERS AND GLYCOSIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-02-09 EP disclosed
US-4326055-A ANTITUMOR AGENTS, SKIN DISORDERS, RHEUMATIC DISEASES HOFFMANN-LA ROCHE INC. (US) 1982-04-20 US disclosed
EP-0002742-B1 STILBENE DERIVATIVES, THEIR PREPARATION AND MEDICINES CONTAINING THESE STILBENE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-04-14 EP disclosed
US-4316983-A Neoplasmic compounds: sugar esters and glycosides HOFFMANN-LA ROCHE INC. (US) 1982-02-23 US disclosed
EP-0021339-A1 Sugar esters and glycosides, their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-01-07 EP disclosed
EP-0002742-A1 Stilbene derivatives, their preparation and medicines containing these stilbene derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-07-11 EP disclosed