SCHEMBL13717099

SCHEMBL13717099

C=C(c1ccc(CN2C(=O)CCNC2=O)cc1)c1cc2c(cc1C)C(C)(C)C=CC2(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.41
RXRB P28702 5/20 0.41
RXRG P48443 5/20 0.41
RARB P10826 3/20 0.41
RARG P13631 2/20 0.41
MEN1 O00255 1/20 0.41
CYP26A1 O43174 1/20 0.41
ABCB11 O95342 1/20 0.41
ESR1 P03372 1/20 0.41
PGR P06401 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
RARA P10276 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL13716915 0.91 GSK3A (0.44) RXRARXRBRXRGRARBRARG
SCHEMBL3985278 0.90 RXRA (0.54) RXRARXRBRXRGRARBRARG
SCHEMBL13717229 0.89 RXRA (0.45) RXRARXRBRXRGRARBRARG
SCHEMBL13716946 0.87 RXRA (0.43) RXRARXRBRXRGRARBRARG
SCHEMBL13716944 0.82 PTGS1 (0.45) RXRARXRBRXRGRARBRARG
SCHEMBL13717074 0.81 AR (0.43) RXRARXRBRXRGRARBRARG
SCHEMBL13716973 0.80 HDAC1 (0.48) RXRARXRBRXRGRARBRARG
SCHEMBL13716985 0.80 HDAC6 (0.50) RXRARXRBRXRGRARBRARG
SCHEMBL3983140 0.80 RXRA (0.57) RXRARXRBRXRGRARBRARG
SCHEMBL13717263 0.79 RXRA (0.40) RXRARXRBRXRGRARBRARG

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