SCHEMBL7022686

SCHEMBL7022686

C=CC(=O)c1cccc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 9/20 0.49
RXRA P19793 15/20 0.49
RXRG P48443 6/20 0.49
RXRB P28702 5/20 0.49
RARB P10826 9/20 0.48
RARA P10276 8/20 0.44
MEN1 O00255 1/20 0.42
CYP26A1 O43174 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
OPRM1 P35372 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
SCHEMBL6032308 0.85 RXRA (0.52) RARGRXRARXRGRXRBRARB
SCHEMBL6876810 0.84 RXRA (0.53) RARGRXRARXRGRXRBRARB
SCHEMBL6877496 0.84 RARG (0.48) RARGRXRARXRGRXRBRARB
SCHEMBL6477226 0.81 RXRA (0.49) RARGRXRARXRGRXRBRARB
SCHEMBL6477640 0.81 RXRA (0.49) RARGRXRARXRGRXRBRARB
SCHEMBL6818414 0.81 RXRA (0.50) RARGRXRARXRGRXRBRARB
SCHEMBL6818417 0.81 RXRA (0.50) RARGRXRARXRGRXRBRARB
SCHEMBL6876518 0.81 RXRA (0.50) RARGRXRARXRGRXRBRARB
SCHEMBL6874287 0.80 RXRA (0.47) RARGRXRARXRGRXRBRARB
SCHEMBL6870442 0.79 RXRA (0.46) RARGRXRARXRGRXRBRARB

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
EP-0832081-B1 BICYCLIC-AROMATIC COMPOUNDS GALDERMA RECH DERMATOLOGIQUE (FR) 2003-01-29 EP claimed