SCHEMBL13745116

SCHEMBL13745116

Cc1cc2c(cc1C1(c3ccc(C=O)cc3)CC1)C(C)(C)CCC2(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.64
RXRG P48443 10/20 0.45
RXRB P28702 9/20 0.45
RARG P13631 8/20 0.45
RARB P10826 7/20 0.45
RARA P10276 6/20 0.45
PPARG P37231 2/20 0.45
CYP26B1 Q9NR63 2/20 0.39
CYP26A1 O43174 2/20 0.36
MEN1 O00255 1/20 0.36
ABCB11 O95342 1/20 0.36
ESR1 P03372 1/20 0.36
PGR P06401 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL13745488 0.87 RXRA (0.49) RXRARXRGRXRBRARGRARB
SCHEMBL14068115 0.80 RXRA (0.65) RXRARXRGRXRBRARGRARB
SCHEMBL13843158 0.80 RXRA (0.65) RXRARXRGRXRBRARGRARB
SCHEMBL13480474 0.80 RXRA (0.65) RXRARXRGRXRBRARGRARB
SCHEMBL7762990 0.80 RXRA (0.68) RXRARXRGRXRBRARGRARB
SCHEMBL726129 0.78 RXRA (1.00) RXRARXRGRXRBRARGRARB
SCHEMBL14068141 0.77 RXRA (0.64) RXRARXRGRXRBRARGRARB
SCHEMBL6907698 0.75 RXRA (0.74) RXRARXRGRXRBRARGRARB
SCHEMBL13847055 0.73 RXRA (0.62) RXRARXRGRXRBRARGRARB
SCHEMBL14068168 0.73 RXRA (0.56) RXRARXRGRXRBRARGRARB

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