SCHEMBL8428581

SCHEMBL8428581

CCNC(=O)c1ccc(/C=C/C(=O)c2ccc(OC(OC)OCC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.54
IKBKB O14920 1/20 0.54
HDAC11 Q96DB2 4/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
PPARG P37231 7/20 0.39
PPARA Q07869 7/20 0.39
PPARD Q03181 6/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL8428593 0.90 RARA (0.55) RARAIKBKBHDAC11HDAC2HDAC1
SCHEMBL8426159 0.90 RARA (0.64) RARAIKBKBHDAC11HDAC2HDAC1
SCHEMBL8424473 0.88 RARA (0.51) RARAIKBKBHDAC11HDAC2HDAC1
SCHEMBL5888251 0.88 RARA (0.57) RARAIKBKBHDAC11HDAC2HDAC1
SCHEMBL8428586 0.85 RARA (0.62) RARAIKBKBHDAC11HDAC2HDAC1
SCHEMBL8615848 0.83 PPARG (0.42) RARARARBRARGPPARGPPARA
SCHEMBL8433281 0.83 RARA (0.57) RARAIKBKBHDAC11HDAC2HDAC1
SCHEMBL8428584 0.81 IKBKB (0.81) RARAIKBKBHDAC11HDAC2HDAC1
SCHEMBL5887965 0.81 RARA (0.57) RARAIKBKBHDAC11HDAC2HDAC1
SCHEMBL5887999 0.79 RARA (0.45) RARAIKBKBHDAC11HDAC2HDAC1

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
EP-0776885-B1 Diaromatic compounds with an adamantyl group in the ortho position, pharmaceutical and cosmetic compositions containing them and uses CIRD GALDERMA (FR) 1999-10-27 EP claimed
EP-0776885-A1 Diaromatic compounds with an adamantyl group in the ortho position, pharmaceutical and cosmetic compositions containing them and uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-06-04 EP claimed
EP-0776885-B1 Diaromatic compounds with an adamantyl group in the ortho position, pharmaceutical and cosmetic compositions containing them and uses CIRD GALDERMA (FR) 1999-10-27 EP disclosed
EP-0776885-A1 Diaromatic compounds with an adamantyl group in the ortho position, pharmaceutical and cosmetic compositions containing them and uses CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-06-04 EP disclosed