SCHEMBL8776423

SCHEMBL8776423

CC(=Cc1ccc(C(=O)O)cc1)c1ccc2c(c1)S(=O)(=O)CCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 20/20 0.52
RARB P10826 19/20 0.52
RARA P10276 16/20 0.52
RXRA P19793 5/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
CYP26A1 O43174 1/20 0.50
GMNN O75496 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
NFKB1 P19838 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50

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
SCHEMBL8776420 1.00 RARG (0.52) RARGRARBRARARXRAKDM4E
SCHEMBL8950117 0.91 RARG (0.49) RARGRARBRARARXRAKDM4E
SCHEMBL8776476 0.91 RARG (0.49) RARGRARBRARARXRAKDM4E
SCHEMBL23704889 0.83 ALDH1A1 (0.54) RXRAKDM4ENPC1ALDH1A1POLB
SCHEMBL2878897 0.82 RARG (0.59) RARGRARBRARARXRAKDM4E
SCHEMBL2878895 0.82 RARG (0.59) RARGRARBRARARXRAKDM4E
SCHEMBL2878899 0.82 RARG (0.59) RARGRARBRARARXRAKDM4E
SCHEMBL8458481 0.81 RARG (0.60) RARGRARBRARARXRAKDM4E
SCHEMBL8458483 0.81 RARG (0.60) RARGRARBRARARXRAKDM4E
SCHEMBL23705003 0.79 ALDH1A1 (0.56) RXRAKDM4ENPC1ALDH1A1LMNA

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