SCHEMBL8428694

SCHEMBL8428694

O=C(O)c1ccc(NC(=O)c2ccc(OCC(O)CO)c(C34CC5CC(CC(C5)C3)C4)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 9/20 0.67
RARB P10826 8/20 0.67
RARG P13631 8/20 0.67
IKBKB O14920 3/20 0.47
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP26A1 O43174 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
PGR P06401 1/20 0.42
HSPD1 P10809 1/20 0.42
GOT1 P17174 1/20 0.42
GLRA1 P23415 1/20 0.42

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
SCHEMBL8691798 0.90 RARA (0.58) RARARARBRARGIKBKBMEN1
SCHEMBL6573837 0.90 RARB (0.81) RARARARBRARGIKBKBMEN1
SCHEMBL9123438 0.85 RARB (0.71) RARARARBRARGIKBKBMEN1
SCHEMBL8693846 0.85 RARA (0.61) RARARARBRARGMEN1KMT2A
SCHEMBL8424420 0.83 RARA (0.51) RARARARBRARGIKBKBMEN1
SCHEMBL8614492 0.83 RARB (0.68) RARARARBRARGIKBKBMEN1
SCHEMBL4936267 0.82 RARA (0.65) RARARARBRARGIKBKBMEN1
SCHEMBL29462764 0.82 RARA (0.50) RARARARBRARGIKBKBMEN1
SCHEMBL8458535 0.82 RARA (0.50) RARARARBRARGIKBKBMEN1
SCHEMBL2919364 0.82 RARA (0.50) RARARARBRARGIKBKBMEN1

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 3 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-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