SCHEMBL8458478

SCHEMBL8458478

CSC1(SC)CCOc2ccc(C(O)c3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.54
RARA P10276 8/20 0.45
RARB P10826 8/20 0.45
RARG P13631 8/20 0.45
RXRB P28702 1/20 0.40
CYP26A1 O43174 2/20 0.38
CYP26B1 Q9NR63 2/20 0.38
CYP3A4 P08684 1/20 0.38
HNF4A P41235 2/20 0.37
SRD5A2 P31213 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
USP9X Q93008 1/20 0.35
CHEK2 O96017 1/20 0.35
SSTR5 P35346 1/20 0.35

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
SCHEMBL8101913 0.85 RARB (0.53) RXRARARARARBRARGRXRB
SCHEMBL7709229 0.84 RARB (0.41) RXRARARARARBRARGRXRB
SCHEMBL7713112 0.83 RARB (0.41) RXRARARARARBRARGRXRB
SCHEMBL8776331 0.83 RARB (0.42) RXRARARARARBRARGCYP3A4
SCHEMBL9817651 0.80 RARB (0.53) RARARARBRARGCYP26A1CYP3A4
SCHEMBL4421853 0.77 KDM4E (0.50) RXRARARARARBRARGCYP26A1
SCHEMBL7141574 0.77 RARB (0.74) RXRARARARARBRARGRXRB
SCHEMBL6146166 0.77 RARA (0.44) RXRARARARARBRARGRXRB
SCHEMBL6148053 0.77 RARA (0.44) RXRARARARARBRARGRXRB
SCHEMBL8459845 0.76 STAT3 (0.62) RARARARBRARG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 WO disclosed
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