SCHEMBL7545478

SCHEMBL7545478

C/C(=C\c1ccc(F)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 20/20 0.73
RARB P10826 18/20 0.73
RARA P10276 17/20 0.73
RXRA P19793 12/20 0.73
KDM4E B2RXH2 1/20 0.73
NPC1 O15118 1/20 0.73
CYP26A1 O43174 1/20 0.73
GMNN O75496 1/20 0.73
USP2 O75604 1/20 0.73
ALDH1A1 P00352 1/20 0.73
LMNA P02545 1/20 0.73
TP53 P04637 1/20 0.73
CYP1A2 P05177 1/20 0.73
POLB P06746 1/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
NFKB1 P19838 1/20 0.73
CYP2C19 P33261 1/20 0.73
THPO P40225 1/20 0.73
MTOR P42345 1/20 0.73

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
SCHEMBL7545490 1.00 RARG (0.73) RARGRARBRARARXRAKDM4E
SCHEMBL7547384 0.91 RARG (0.61) RARGRARBRARARXRAKDM4E
SCHEMBL7545484 0.91 RARG (0.73) RARGRARBRARARXRAKDM4E
SCHEMBL7138406 0.91 RARG (0.61) RARGRARBRARARXRAKDM4E
SCHEMBL7552421 0.87 RARG (0.75) RARGRARBRARARXRAKDM4E
SCHEMBL7552403 0.87 RARG (0.75) RARGRARBRARARXRAKDM4E
SCHEMBL7223963 0.87 RARG (0.75) RARGRARBRARARXRAKDM4E
SCHEMBL7223971 0.87 RARG (0.75) RARGRARBRARARXRAKDM4E
SCHEMBL9007194 0.87 RARG (0.75) RARGRARBRARARXRAKDM4E
SCHEMBL7223973 0.87 RARG (0.75) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4935560-A ANTITUMOR AGENTS; SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-06-19 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-5055622-A For treating neoplasms and dermatoses HOFFMANN-LA ROCHE INC. (US) 1991-10-08 US disclosed
US-5030764-A Antitumor agents; treatment of skin disorders HOFFMANN-LA ROCHE INC. (US) 1991-07-09 US disclosed
US-5030765-A Skin disorders, anititumor agents HOFFMANN-LA ROCHE INC. (US) 1991-07-09 US disclosed
US-5001276-A Novel tetrahydronaphthalene and indane derivatives HOFFMANN-LA ROCHE INC. (US) 1991-03-19 US disclosed
US-4990703-A Novel tetrahydronaphthalene and indane derivatives HOFFMANN-LA ROCHE INC. (US) 1991-02-05 US disclosed
US-4935560-A ANTITUMOR AGENTS; SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-06-19 US disclosed
US-4870219-A NEOPLASMS, DERMATOSES HOFFMANN-LA ROCHE INC. (US) 1989-09-26 US disclosed