SCHEMBL7876412

SCHEMBL7876412

Cc1cc2c(cc1/C=C/C(=O)Oc1ccccc1C(=O)O)C(C)(C)CCC2(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52
MAPT P10636 1/20 0.52
RARA P10276 4/20 0.52
RARB P10826 4/20 0.52
RARG P13631 4/20 0.52
RXRA P19793 14/20 0.43
RXRB P28702 9/20 0.43
RXRG P48443 9/20 0.43
ESR1 P03372 2/20 0.41
BLM P54132 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP26A1 O43174 1/20 0.41
ABCB11 O95342 1/20 0.41
PGR P06401 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL7876418 1.00 KDM4E (0.52) KDM4EHPGDHSD17B10MAPTRARA
SCHEMBL7872185 0.83 RARB (0.54) KDM4EHPGDHSD17B10MAPTRARA
SCHEMBL7872176 0.83 RARB (0.54) KDM4EHPGDHSD17B10MAPTRARA
SCHEMBL7999260 0.81 RARB (0.64) RARARARBRARGRXRARXRB
SCHEMBL8189489 0.77 RARG (0.54) KDM4EHPGDHSD17B10MAPTRARA
SCHEMBL8189493 0.77 RARG (0.54) KDM4EHPGDHSD17B10MAPTRARA
SCHEMBL7879841 0.75 RARG (0.62) RARARARBRARGRXRARXRB
SCHEMBL7879838 0.75 RARG (0.62) RARARARBRARGRXRARXRB
SCHEMBL7879827 0.74 RARG (0.52) RARARARBRARGRXRARXRB
SCHEMBL7879831 0.74 RARG (0.52) RARARARBRARGRXRARXRB

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 4 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 claimed
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