SCHEMBL5084734

SCHEMBL5084734

CN(C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26B1 Q9NR63 2/20 0.75
RXRA P19793 14/20 0.66
RXRB P28702 10/20 0.66
RARB P10826 11/20 0.65
RARG P13631 10/20 0.65
RXRG P48443 8/20 0.65
RARA P10276 8/20 0.62
CYP26A1 O43174 5/20 0.61
CYP3A4 P08684 4/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2C9 P11712 1/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
PGR P06401 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
TBXA2R P21731 1/20 0.58

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
SCHEMBL8459952 0.92 RXRA (0.66) CYP26B1RXRARXRBRARBRARG
SCHEMBL22838105 0.86 CYP26B1 (1.00) CYP26B1RXRARXRBRARBRARG
SCHEMBL8457579 0.84 RXRA (0.59) CYP26B1RXRARXRBRARBRARG
SCHEMBL14425232 0.84 CYP26B1 (0.65) CYP26B1RXRARXRBRARBRARG
SCHEMBL5080300 0.83 RXRA (0.61) CYP26B1RXRARXRBRARBRARG
SCHEMBL29827631 0.82 RARB (0.81) CYP26B1RXRARXRBRARBRARG
SCHEMBL846110 0.82 RARB (0.81) CYP26B1RXRARXRBRARBRARG
SCHEMBL13027020 0.82 RXRA (0.67) RXRARXRBRARBRARGRXRG
SCHEMBL8839229 0.81 RXRA (0.64) CYP26B1RXRARXRBRARBRARG
Hydrochloric Acid SCHEMBL9120757 0.80 RARB (0.78) CYP26B1RXRARXRBRARBRARG

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0465343-B1 Pharmaceutical or cosmetical composition comprising a retinoid and a sterol in association CIRD GALDERMA (FR) 1994-06-15 EP claimed
US-20080255244-A1 Administering a Calmodulin-dependent protein kinase (M kinase II) gamma inhibitor; acute myelogenous leukemia, chronic myelogenous leukemia, gastrointestinal stromal tumor, small cell lung cancer, non-small cell lung cancer, ovarian cancer FRED HUTCHINSON CANCER RESEARCH CENTER 2008-10-16 US disclosed
WO-1999048529-A1 RETINOID-GLITAZONE COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-30 WO disclosed
EP-0808159-A1 USE OR RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1997-11-26 EP disclosed
US-5587367-A SYNERGISTIC EFFECT IN TREATING SKIN DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1996-12-24 US disclosed
US-5556844-A SYNERGISTIC, SKIN DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1996-09-17 US disclosed
WO-1996024344-A1 USE OF RETINOIDS TO LOWER PLASMA LEVELS OF LIPOPROTEIN (a) WARNER-LAMBERT COMPANY (US) 1996-08-15 WO disclosed
US-5489611-A ADMINISTERING A RETINOID COMPOUND WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed