SCHEMBL8005372

SCHEMBL8005372

CCOC(=O)c1ccc(Sc2cc3c(cc2CC)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.56
RXRB P28702 5/20 0.56
RXRG P48443 5/20 0.56
RARB P10826 6/20 0.47
RARA P10276 5/20 0.47
RARG P13631 3/20 0.47
GSTP1 P09211 1/20 0.43
GSTM2 P28161 1/20 0.43
CYP26A1 O43174 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ESR1 P03372 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
ESR2 Q92731 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGIR P43119 1/20 0.41
LMNA P02545 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
SCHEMBL8013613 0.92 RXRA (0.53) RXRARXRBRXRGRARBRARA
SCHEMBL8015924 0.89 RXRA (0.71) RXRARXRBRXRGRARBRARA
SCHEMBL8020041 0.85 RXRA (0.53) RXRARXRBRXRGRARBRARA
SCHEMBL7719786 0.85 RXRA (0.72) RXRARXRBRXRGRARBRARA
SCHEMBL8014568 0.84 RXRA (0.67) RXRARXRBRXRGRARBRARA
SCHEMBL8896551 0.81 RXRA (0.47) RXRARXRBRXRGRARBRARA
SCHEMBL7716684 0.77 RXRA (0.67) RXRARXRBRXRGRARBRARA
SCHEMBL3819796 0.76 RARB (0.60) RXRARXRBRXRGRARBRARA
SCHEMBL8895101 0.76 RXRA (0.50) RXRARXRBRXRGRARBRARA
SCHEMBL8896356 0.76 RARB (0.53) RXRARXRBRXRGRARBRARA

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-6162815-A RXR-agonist polycyclic aromatic compounds, pharmaceutical/cosmetic compositions comprising said compound and uses thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-19 US disclosed
US-6156788-A Polycyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-05 US disclosed
US-6015569-A PYRIDINE OR PYRROLE DERIVATIVES OF POLYCYCLIC AROMATICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-01-18 US disclosed
US-5766610-A USEFUL FOR TREATMENT OF MAMMALIAN SKIN AND HAIR, RHEUMATISM, RESIPIRATORY SYSTEM DISORDER, CARDIOVASCULAR AND VISION DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-06-16 US disclosed