SCHEMBL8765816

SCHEMBL8765816

C/C(=C/c1ccc(C(=O)O)cc1)c1ccc(O)c(C2(C)CCCCC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 20/20 1.00
RARG P13631 20/20 1.00
RARA P10276 17/20 1.00
RXRA P19793 7/20 0.65
KDM4E B2RXH2 1/20 0.65
NPC1 O15118 1/20 0.65
CYP26A1 O43174 1/20 0.65
GMNN O75496 1/20 0.65
USP2 O75604 1/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
TP53 P04637 1/20 0.65
CYP1A2 P05177 1/20 0.65
POLB P06746 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
NFKB1 P19838 1/20 0.65
CYP2C19 P33261 1/20 0.65
THPO P40225 1/20 0.65
MTOR P42345 1/20 0.65

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
SCHEMBL8765822 1.00 RARB (1.00) RARBRARGRARARXRAKDM4E
SCHEMBL8766423 1.00 RARB (1.00) RARBRARGRARARXRAKDM4E
SCHEMBL6379000 0.86 RARB (1.00) RARBRARGRARARXRAKDM4E
SCHEMBL8765844 0.86 RARB (1.00) RARBRARGRARARXRAKDM4E
SCHEMBL6378998 0.86 RARB (1.00) RARBRARGRARARXRAKDM4E
SCHEMBL8766164 0.84 RARB (0.72) RARBRARGRARARXRAKDM4E
SCHEMBL8766418 0.84 RARB (0.72) RARBRARGRARARXRAKDM4E
SCHEMBL8765948 0.84 RARB (0.72) RARBRARGRARARXRAKDM4E
SCHEMBL8766157 0.84 RARB (0.72) RARBRARGRARARXRAKDM4E
SCHEMBL8765943 0.84 RARB (0.72) RARBRARGRARARXRAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584191-B1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AND IN COSMETICS CIRD GALDERMA (FR) 1997-08-13 EP claimed
EP-0584191-A1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDECINE AND IN COSMETICS. CIRD GALDERMA (FR) 1994-03-02 EP claimed
WO-1992019583-A1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDECINE AND IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-11-12 WO claimed
EP-0584191-B1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AND IN COSMETICS CIRD GALDERMA (FR) 1997-08-13 EP disclosed
EP-0584191-A1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDECINE AND IN COSMETICS. CIRD GALDERMA (FR) 1994-03-02 EP disclosed
WO-1992019583-A1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDECINE AND IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-11-12 WO disclosed