SCHEMBL7870769

SCHEMBL7870769

Cc1cc2c(cc1C(=NO)c1ccc(C(=O)O)cn1)C(C)(C)CCC2(C)C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 0.75
RXRG P48443 14/20 0.72
RXRB P28702 13/20 0.72
RARA P10276 4/20 0.59
RARB P10826 4/20 0.59
RARG P13631 4/20 0.59
PPARG P37231 2/20 0.57
MEN1 O00255 1/20 0.57
CYP26A1 O43174 1/20 0.57
ABCB11 O95342 1/20 0.57
ESR1 P03372 1/20 0.57
PGR P06401 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CHRM1 P11229 1/20 0.57
DRD1 P21728 1/20 0.57
TBXA2R P21731 1/20 0.57
SLC6A2 P23975 1/20 0.57
ADRA1A P35348 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
SCHEMBL6891059 1.00 RXRA (0.75) RXRARXRGRXRBRARARARB
SCHEMBL6892115 0.88 RXRA (0.73) RXRARXRGRXRBRARARARB
SCHEMBL7874373 0.88 RXRA (0.73) RXRARXRGRXRBRARARARB
SCHEMBL726852 0.86 RXRA (1.00) RXRARXRGRXRBRARARARB
SCHEMBL6890738 0.85 RXRA (0.78) RXRARXRGRXRBRARARARB
SCHEMBL5534961 0.85 RXRA (0.56) RXRARXRGRXRBRARARARB
SCHEMBL6888698 0.84 RXRA (1.00) RXRARXRGRXRBRARARARB
SCHEMBL13752412 0.84 RXRA (1.00) RXRARXRGRXRBRARARARB
SCHEMBL2685542 0.84 RXRA (1.00) RXRARXRGRXRBRARARARB
SCHEMBL1073659 0.82 RXRA (0.84) RXRARXRGRXRBRARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6320074-B1 IN VIVO MODULATION OF LIPID METABOLISM, SKIN-RELATED PROCESSES, AUTOIMMUNE DISEASES, FATTY ACID METABOLISM, MALIGNANT CELL DEVELOPMENT, PREMALIGNANT LESIONS, OR PROGRAMMED CELL DEATH LIGAND PHARMACEUTICALS INCORPORATED 2001-11-20 US claimed
EP-0678086-B1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARM INC (US) 1999-12-08 EP claimed