SCHEMBL13717243

SCHEMBL13717243

C=C(c1ccc(CN2C(=O)CN(C)C2=O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.56
RXRG P48443 8/20 0.42
RXRB P28702 7/20 0.42
RARB P10826 4/20 0.42
RARG P13631 4/20 0.42
RARA P10276 3/20 0.42
CYP26A1 O43174 2/20 0.42
CYP26B1 Q9NR63 2/20 0.42
MEN1 O00255 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

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
SCHEMBL13716991 0.91 RXRA (0.44) RXRARXRGRXRBRARBRARG
SCHEMBL13716919 0.88 RXRA (0.61) RXRARXRGRXRBRARBRARG
SCHEMBL3979031 0.86 RXRA (0.55) RXRARXRGRXRBRARBRARG
SCHEMBL13717117 0.86 RXRA (0.57) RXRARXRGRXRBRARBRARG
SCHEMBL13717370 0.85 RXRA (0.61) RXRARXRGRXRBRARBRARG
SCHEMBL13717078 0.85 RXRA (0.58) RXRARXRGRXRBRARBRARG
SCHEMBL13716926 0.83 RXRA (0.56) RXRARXRGRXRBRARBRARG
SCHEMBL13717361 0.83 RXRA (0.55) RXRARXRGRXRBRARBRARG
SCHEMBL13717024 0.82 RXRA (0.57) RXRARXRGRXRBRARBRARG
SCHEMBL13716934 0.82 RXRA (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572816-B2 Therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-11 US disclosed
US-7572816-B2 Therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-11 US disclosed