SCHEMBL8691802

SCHEMBL8691802

COC(C)OCOc1ccc(CO)c(OC(=O)c2ccccc2)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.35
IKBKB O14920 3/20 0.35
HIF1A Q16665 3/20 0.33
EPAS1 Q99814 1/20 0.33
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
PPARG P37231 4/20 0.32
PPARA Q07869 1/20 0.32
RARA P10276 1/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL8690762 0.88 IKBKB (0.37) EPHX2IKBKBHIF1AEPAS1RARB
SCHEMBL8691383 0.87 PTPN1 (0.41) EPHX2IKBKBHIF1AEPAS1PPARG
SCHEMBL8570620 0.78 IKBKB (0.31) IKBKB
SCHEMBL8397841 0.77 EPHX2 (0.35) EPHX2IKBKBHIF1AEPAS1RARB
SCHEMBL8575216 0.74 IKBKB (0.34) EPHX2IKBKBHIF1AEPAS1RARA
SCHEMBL8692338 0.73 RARA (0.45) IKBKBRARBRARGPPARGPPARA
SCHEMBL8424159 0.72 RARA (0.42) IKBKBHIF1AEPAS1RARBRARG
SCHEMBL8568404 0.72 IKBKB (0.35) EPHX2IKBKBHIF1AEPAS1RARB
SCHEMBL8426205 0.72 RARA (0.51) IKBKBHIF1AEPAS1RARBRARG
SCHEMBL8574908 0.71 IKBKB (0.33) IKBKBHIF1AEPAS1RARALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5786379-A Adamantyl-substituted biaromatic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-07-28 US claimed
US-5786379-A Adamantyl-substituted biaromatic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-07-28 US disclosed