SCHEMBL7545484

SCHEMBL7545484

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 18/20 0.73
RARB P10826 16/20 0.73
RARA P10276 15/20 0.73
RXRA P19793 13/20 0.73
CYP26A1 O43174 2/20 0.61
KDM4E B2RXH2 1/20 0.61
NPC1 O15118 1/20 0.61
GMNN O75496 1/20 0.61
USP2 O75604 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
POLB P06746 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
NFKB1 P19838 1/20 0.61
CYP2C19 P33261 1/20 0.61
THPO P40225 1/20 0.61
MTOR P42345 1/20 0.61

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
SCHEMBL7138401 0.91 RARB (0.61) RARGRARBRARARXRACYP26A1
SCHEMBL7545478 0.91 RARG (0.73) RARGRARBRARARXRACYP26A1
SCHEMBL7545490 0.91 RARG (0.73) RARGRARBRARARXRACYP26A1
SCHEMBL7552414 0.87 RARG (0.75) RARGRARBRARARXRACYP26A1
SCHEMBL7552408 0.87 RARG (0.75) RARGRARBRARARXRACYP26A1
SCHEMBL7544450 0.86 RARG (0.73) RARGRARBRARARXRACYP26A1
SCHEMBL7544452 0.86 RARG (0.73) RARGRARBRARARXRACYP26A1
SCHEMBL9860673 0.86 RARG (0.73) RARGRARBRARARXRACYP26A1
SCHEMBL9868148 0.86 RARG (0.73) RARGRARBRARARXRACYP26A1
SCHEMBL9860027 0.86 RARG (0.73) RARGRARBRARARXRACYP26A1

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-5030765-A Skin disorders, anititumor agents HOFFMANN-LA ROCHE INC. (US) 1991-07-09 US disclosed
US-5030764-A Antitumor agents; treatment of skin disorders 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