SCHEMBL8459965

SCHEMBL8459965

CC(C)(C)c1ccc(OCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 1.00
RXRB P28702 7/20 1.00
NR4A2 P43354 5/20 1.00
NR4A1 P22736 2/20 0.70
NR4A3 Q92570 2/20 0.70
NPC1 O15118 1/20 0.69
POLB P06746 1/20 0.69
RAB9A P51151 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
RXRG P48443 2/20 0.63
APP P05067 1/20 0.62
PLA2G4B P0C869 2/20 0.61
SRD5A2 P31213 2/20 0.60
MAOB P27338 1/20 0.58
EPHX2 P34913 1/20 0.57
NR1H4 Q96RI1 1/20 0.57

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
SCHEMBL9813418 1.00 RXRA (1.00) RXRARXRBNR4A2NR4A1NR4A3
SCHEMBL24464736 0.88 RXRA (0.78) RXRARXRBNR4A2NR4A1NR4A3
SCHEMBL28224182 0.88 NR4A2 (0.78) RXRARXRBNR4A2NR4A1NR4A3
SCHEMBL8457176 0.87 RXRA (0.76) RXRARXRBNR4A2NR4A1NR4A3
SCHEMBL8134318 0.87 NR4A2 (0.85) RXRARXRBNR4A2NR4A1NR4A3
SCHEMBL8462073 0.86 RXRA (0.76) RXRARXRBNR4A2NR4A1NR4A3
SCHEMBL9509148 0.85 NR4A2 (0.74) RXRARXRBNR4A2NR4A1NR4A3
SCHEMBL13439695 0.85 NR4A2 (0.74) RXRARXRBNR4A2NR4A1NR4A3
SCHEMBL10396483 0.85 NR4A2 (0.74) RXRARXRBNR4A2NR4A1NR4A3
SCHEMBL22275947 0.85 APP (0.82) RXRARXRBNR4A2NR4A1NR4A3

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