SCHEMBL8428598

SCHEMBL8428598

COC(C)OCOc1ccc(C(=O)C=Cc2ccc(O)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.64
IKBKB O14920 2/20 0.64
HDAC11 Q96DB2 4/20 0.45
HDAC2 Q92769 1/20 0.45
RARB P10826 3/20 0.44
RARG P13631 2/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 3/20 0.40
ABCG2 Q9UNQ0 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
CTSL P07711 1/20 0.40
LMNA P02545 1/20 0.40
MAOB P27338 1/20 0.40
P4HB P07237 1/20 0.40
CALM1 P0DP23 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
SCHEMBL8426163 0.93 RARA (0.74) RARAIKBKBHDAC11HDAC2RARB
SCHEMBL8424478 0.93 RARA (0.58) RARAIKBKBHDAC11HDAC2RARB
SCHEMBL8428586 0.89 RARA (0.62) RARAIKBKBHDAC11HDAC2RARB
SCHEMBL8431943 0.86 RARA (0.64) RARAIKBKBHDAC11HDAC2RARB
SCHEMBL8428596 0.85 IKBKB (0.87) RARAIKBKBHDAC11HDAC2RARB
SCHEMBL5888193 0.85 RARA (0.57) RARAIKBKBHDAC11HDAC2RARB
SCHEMBL5888203 0.85 RARA (0.57) RARAIKBKBHDAC11HDAC2RARB
SCHEMBL5887970 0.84 RARA (0.60) RARAIKBKBHDAC11HDAC2RARB
SCHEMBL5887963 0.84 RARA (0.60) RARAIKBKBHDAC11HDAC2RARB
SCHEMBL8428593 0.82 RARA (0.55) RARAIKBKBHDAC11HDAC2RARB

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