SCHEMBL8460355

SCHEMBL8460355

CC(C)(C)c1ccc(OCc2ccc(C(=O)O)cc2)c(C(C)(C)C)c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.74
RXRB P28702 9/20 0.74
RXRG P48443 7/20 0.74
NR4A2 P43354 2/20 0.64
MRGPRX4 Q96LA9 4/20 0.58
NR4A1 P22736 1/20 0.55
NR4A3 Q92570 1/20 0.55
RAB9A P51151 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
XDH P47989 1/20 0.52
HPGD P15428 2/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
FOLH1 Q04609 1/20 0.51

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
SCHEMBL8461702 0.89 RXRA (0.70) RXRARXRBRXRGNR4A2MRGPRX4
SCHEMBL8460108 0.88 RXRA (0.76) RXRARXRBRXRGNR4A2MRGPRX4
SCHEMBL8459307 0.86 RXRA (0.69) RXRARXRBRXRGNR4A2MRGPRX4
SCHEMBL8461937 0.84 RXRA (0.62) RXRARXRBRXRGNR4A2MRGPRX4
SCHEMBL5030365 0.83 RXRA (0.72) RXRARXRBRXRGNR4A2MRGPRX4
SCHEMBL8458873 0.83 RXRA (0.63) RXRARXRBRXRGNR4A2NR4A1
SCHEMBL12772068 0.83 MRGPRX4 (0.52) RXRARXRBRXRGNR4A2MRGPRX4
SCHEMBL6238028 0.82 RXRA (1.00) RXRARXRBRXRGNR4A2MRGPRX4
SCHEMBL8458553 0.81 RXRA (0.65) RXRARXRBRXRGNR4A2MRGPRX4
SCHEMBL8460890 0.80 RXRA (0.65) RXRARXRBRXRGNR4A2MRGPRX4

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