SCHEMBL6823488

SCHEMBL6823488

Cc1cc2c(cc1/C=C/Cc1cc(C(=O)O)cs1)C(C)(C)CCC2(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.56
RARG P13631 6/20 0.56
RARA P10276 5/20 0.56
RXRA P19793 17/20 0.51
RXRB P28702 9/20 0.51
RXRG P48443 9/20 0.51
MEN1 O00255 1/20 0.42
CYP26A1 O43174 1/20 0.42
ABCB11 O95342 1/20 0.42
ESR1 P03372 1/20 0.42
PGR P06401 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42

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
SCHEMBL8318880 0.74 RXRA (0.57) RARBRARGRARARXRARXRB
SCHEMBL156460 0.72 RARB (1.00) RARBRARGRARARXRARXRB
SCHEMBL10841477 0.72 RARB (1.00) RARBRARGRARARXRARXRB
SCHEMBL8200200 0.72 RARG (0.52) RARBRARGRARARXRARXRB
SCHEMBL8200207 0.72 RARG (0.52) RARBRARGRARARXRARXRB
Hydrochloric Acid SCHEMBL4432609 0.71 RARB (0.97) RARBRARGRARARXRARXRB
SCHEMBL7879841 0.70 RARG (0.62) RARBRARGRARARXRARXRB
SCHEMBL7879838 0.70 RARG (0.62) RARBRARGRARARXRARXRB
SCHEMBL14782243 0.70 RARB (0.65) RARBRARGRARARXRARXRB
SCHEMBL9117389 0.69 RARG (0.49) RARBRARGRARARXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004072042-A2 QUINOLINE DERIVATIVE AND THEIR USE FOR MODULATION OF LXR ACTIVITY CAREX S.A. (FR) 2004-08-26 WO disclosed
WO-2004072046-A2 QUINOLINE DERIVATIVES AND THEIR USE FOR MODULATION OF LXR ACTIVITY CAREX S.A. (FR) 2004-08-26 WO disclosed
US-20030104975-A1 Cofactor-based screening method for nuclear receptor modulators and related modulators INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (INSERM) (FR) 2003-06-05 US disclosed
EP-1267171-A1 Cofactor-based screening method for nuclear receptor modulators INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-12-18 EP disclosed
WO-2002094877-A2 NEW NUCLEAR RECEPTOR COFACTORS AND RELATED MODULATORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-11-28 WO disclosed
US-6333318-B1 USED IN THERAPY; FOR DELIVERING RECOMBINANT PROTEINS INTO A VARIETY OF CELLS WITHIN A PATIENT THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2001-12-25 US disclosed