SCHEMBL7878427

SCHEMBL7878427

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 6/20 0.57
RARB P10826 5/20 0.57
RARA P10276 4/20 0.57
RXRA P19793 19/20 0.47
RXRB P28702 12/20 0.47
RXRG P48443 12/20 0.47
MEN1 O00255 1/20 0.40
CYP26A1 O43174 1/20 0.40
ABCB11 O95342 1/20 0.40
ESR1 P03372 1/20 0.40
PGR P06401 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40

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
SCHEMBL7878425 1.00 RARG (0.57) RARGRARBRARARXRARXRB
SCHEMBL7879841 0.86 RARG (0.62) RARGRARBRARARXRARXRB
SCHEMBL7879838 0.86 RARG (0.62) RARGRARBRARARXRARXRB
SCHEMBL8189493 0.82 RARG (0.54) RARGRARBRARARXRARXRB
SCHEMBL8189489 0.82 RARG (0.54) RARGRARBRARARXRARXRB
SCHEMBL6877487 0.81 RXRA (0.50) RARGRARBRARARXRARXRB
SCHEMBL7879827 0.80 RARG (0.52) RARGRARBRARARXRARXRB
SCHEMBL7879831 0.80 RARG (0.52) RARGRARBRARARXRARXRB
SCHEMBL8197724 0.76 RARG (0.54) RARGRARBRARARXRARXRB
SCHEMBL8197728 0.76 RARG (0.54) RARGRARBRARARXRARXRB

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