SCHEMBL8776401

SCHEMBL8776401

COc1cc2c(cc1C(C)=Cc1ccccc1)C(C)(C)CCC2(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.54
RARB P10826 17/20 0.54
RARG P13631 16/20 0.54
RARA P10276 12/20 0.54
RXRB P28702 7/20 0.54
RXRG P48443 7/20 0.54
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
CYP26A1 O43174 1/20 0.46
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL7135063 1.00 RXRA (0.54) RXRARARBRARGRARARXRB
SCHEMBL9860395 0.88 RARB (0.52) RXRARARBRARGRARARXRB
SCHEMBL9860392 0.88 RARB (0.52) RXRARARBRARGRARARXRB
Methyl Alcohol SCHEMBL10474586 0.87 RARB (0.51) RXRARARBRARGRARARXRB
SCHEMBL11212795 0.86 RARB (0.74) RXRARARBRARGRARARXRB
SCHEMBL11221509 0.86 RARB (0.74) RXRARARBRARGRARARXRB
SCHEMBL9860009 0.85 RXRA (0.56) RXRARARBRARGRARARXRB
SCHEMBL7551631 0.82 RXRA (0.76) RXRARARBRARGRARARXRB
SCHEMBL7551640 0.82 RXRA (0.76) RXRARARBRARGRARARXRB
SCHEMBL8950305 0.81 RXRA (0.74) RXRARARBRARGRARARXRB

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 3 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-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed