SCHEMBL8776541

SCHEMBL8776541

C/C(=C/c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 18/20 0.77
RARB P10826 16/20 0.77
RARA P10276 14/20 0.77
RXRA P19793 14/20 0.77
CYP26A1 O43174 2/20 0.64
KDM4E B2RXH2 1/20 0.64
NPC1 O15118 1/20 0.64
GMNN O75496 1/20 0.64
USP2 O75604 1/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
TP53 P04637 1/20 0.64
CYP1A2 P05177 1/20 0.64
POLB P06746 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
NFKB1 P19838 1/20 0.64
CYP2C19 P33261 1/20 0.64
THPO P40225 1/20 0.64
MTOR P42345 1/20 0.64

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
SCHEMBL7544418 1.00 RARG (0.77) RARGRARBRARARXRACYP26A1
SCHEMBL7544422 1.00 RARG (0.77) RARGRARBRARARXRACYP26A1
SCHEMBL9860816 0.91 RARG (0.64) RARGRARBRARARXRACYP26A1
SCHEMBL9860812 0.91 RARG (0.64) RARGRARBRARARXRACYP26A1
SCHEMBL12498687 0.87 RARB (1.00) RARGRARBRARARXRACYP26A1
SCHEMBL7552414 0.87 RARG (0.75) RARGRARBRARARXRACYP26A1
SCHEMBL7552408 0.87 RARG (0.75) RARGRARBRARARXRACYP26A1
SCHEMBL9868148 0.85 RARG (0.73) RARGRARBRARARXRACYP26A1
SCHEMBL7545484 0.85 RARG (0.73) RARGRARBRARARXRACYP26A1
SCHEMBL7544450 0.85 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed
US-4863969-A Treatment of premalignant lesions and certain malignant tumors HOFFMANN-LA ROCHE INC. (US) 1989-09-05 US disclosed
US-4719238-A 1,2,3,4-TETRAHYDRO-1,1,4,4-TETRAMETHYL-6-(2-METHYLSTYRYLE) NAPHTHALENE HOFFMANN-LA ROCHE INC. (US) 1988-01-12 US disclosed
US-4689350-A 1,2,3,4-TETRAHYDRO-1,1,4,4-TETRAMETHYL-6-(ALPHA-METHYLSTYRYL) NAPHTHALENE HOFFMAN-LA ROCHE INC. (US) 1987-08-25 US disclosed
US-4588750-A A TETRAHYDRO-TETRAMETHYL-NAPHTHALENE, ANTDANDRUFF, ANTIACNE HOFFMANN-LA ROCHE INC. (US) 1986-05-13 US disclosed