SCHEMBL7879841

SCHEMBL7879841

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 5/20 0.62
RARA P10276 5/20 0.62
RARB P10826 4/20 0.62
RXRA P19793 15/20 0.56
RXRB P28702 9/20 0.51
RXRG P48443 9/20 0.51
CYP26A1 O43174 3/20 0.51
CYP3A4 P08684 1/20 0.49
CYP26B1 Q9NR63 2/20 0.47
MEN1 O00255 1/20 0.44
ABCB11 O95342 1/20 0.44
ESR1 P03372 1/20 0.44
PGR P06401 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
TBXA2R P21731 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL7879838 1.00 RARG (0.62) RARGRARARARBRXRARXRB
SCHEMBL7878427 0.86 RARG (0.57) RARGRARARARBRXRARXRB
SCHEMBL7878425 0.86 RARG (0.57) RARGRARARARBRXRARXRB
SCHEMBL8189489 0.83 RARG (0.54) RARGRARARARBRXRARXRB
SCHEMBL8189493 0.83 RARG (0.54) RARGRARARARBRXRARXRB
SCHEMBL7879827 0.81 RARG (0.52) RARGRARARARBRXRARXRB
SCHEMBL7879831 0.81 RARG (0.52) RARGRARARARBRXRARXRB
SCHEMBL7761215 0.79 RXRA (0.52) RARGRARARARBRXRARXRB
SCHEMBL7761270 0.79 RXRA (0.52) RARGRARARARBRXRARXRB
SCHEMBL6876422 0.78 RXRA (0.66) RARGRARARARBRXRARXRB

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 3 patents. 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
EP-0901462-A1 BI-AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND USES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1999-03-17 EP disclosed
WO-1998034909-A1 BI-AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND USES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-08-13 WO disclosed