SCHEMBL7872153

SCHEMBL7872153

Cc1cc2c(cc1C(=O)Cl)C(C)(C)CCC2(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.59
RXRB P28702 12/20 0.59
RXRG P48443 11/20 0.59
RARA P10276 3/20 0.59
RARB P10826 3/20 0.59
RARG P13631 3/20 0.59
CYP26A1 O43174 2/20 0.56
CYP26B1 Q9NR63 2/20 0.56
MEN1 O00255 1/20 0.56
ABCB11 O95342 1/20 0.56
ESR1 P03372 1/20 0.56
PGR P06401 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD1 P21728 1/20 0.56
TBXA2R P21731 1/20 0.56
SLC6A2 P23975 1/20 0.56
ADRA1A P35348 1/20 0.56

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
SCHEMBL7218238 0.85 RXRA (0.73) RXRARXRBRXRGRARARARB
SCHEMBL5359740 0.83 RXRA (0.71) RXRARXRBRXRGRARARARB
SCHEMBL3298635 0.83 RXRA (0.61) RXRARXRBRXRGRARARARB
SCHEMBL17938241 0.81 RXRA (0.77) RXRARXRBRXRGRARARARB
SCHEMBL12181011 0.80 RXRA (0.88) RXRARXRBRXRGRARARARB
SCHEMBL12620623 0.77 RXRA (0.55) RXRARXRBRXRGRARARARB
SCHEMBL9122255 0.76 RXRA (0.61) RXRARXRBRXRGRARARARB
SCHEMBL9122260 0.76 RXRA (0.61) RXRARXRBRXRGRARARARB
SCHEMBL9122247 0.76 RXRA (0.61) RXRARXRBRXRGRARARARB
SCHEMBL5540253 0.76 RXRA (0.80) RXRARXRBRXRGRARARARB

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-6326510-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-12-04 US disclosed