SCHEMBL7220989

SCHEMBL7220989

C=C(c1ccc(C(=O)O)c(C)n1)c1cc(C(C)(C)C)cc2c1CCC2(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.54
RXRG P48443 10/20 0.40
RXRB P28702 11/20 0.37
RARB P10826 5/20 0.37
RARG P13631 4/20 0.37
RARA P10276 2/20 0.37
MEN1 O00255 1/20 0.37
CYP26A1 O43174 1/20 0.37
ABCB11 O95342 1/20 0.37
ESR1 P03372 1/20 0.37
PGR P06401 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL7080909 0.81 RXRA (0.62) RXRARXRGRXRBRARBRARG
SCHEMBL3633427 0.80 RXRA (0.65) RXRARXRGRXRBRARBRARG
SCHEMBL7088008 0.79 RXRA (0.61) RXRARXRGRXRBRARBRARG
SCHEMBL7220993 0.78 RXRA (0.45) RXRARXRGRXRBRARBRARG
SCHEMBL7080041 0.77 RXRA (0.56) RXRARXRGRXRBRARBRARG
SCHEMBL7800113 0.76 RXRA (0.58) RXRARXRGRXRBRARBRARG
SCHEMBL7081365 0.75 RXRA (0.49) RXRARXRGRXRBRARBRARG
SCHEMBL7083909 0.74 RXRA (0.56) RXRARXRGRXRBRARBRARG
SCHEMBL29374183 0.74 RXRA (0.63) RXRARXRGRXRBRARBRARG
SCHEMBL112943 0.74 RXRA (0.63) RXRARXRGRXRBRARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6642273-B2 Dermatology, vision defects, cardiovascular disorders, antiinflammatory GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-11-04 US claimed