SCHEMBL8433865

SCHEMBL8433865

CCOC(OC)Oc1cc(/C=C/c2ccc(C(=O)O)cc2)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 9/20 0.54
RARB P10826 8/20 0.54
RARG P13631 7/20 0.54
IKBKB O14920 2/20 0.47
HDAC11 Q96DB2 4/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
PGR P06401 1/20 0.41
HSPD1 P10809 1/20 0.41
GOT1 P17174 1/20 0.41
GLRA1 P23415 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC2 Q92769 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL5887965 0.93 RARA (0.57) RARARARBRARGIKBKBHDAC11
SCHEMBL8433281 0.91 RARA (0.57) RARARARBRARGIKBKBHDAC11
SCHEMBL8397882 0.89 RARG (0.48) RARARARBRARGIKBKBMEN1
SCHEMBL8431871 0.88 RARG (0.63) RARARARBRARGIKBKBMEN1
SCHEMBL8431926 0.88 RARG (0.63) RARARARBRARGIKBKBMEN1
SCHEMBL8394410 0.87 RARA (0.39) RARARARBRARGIKBKBHDAC11
SCHEMBL8426159 0.85 RARA (0.64) RARARARBRARGIKBKBHDAC11
SCHEMBL8436675 0.85 RARA (0.41) RARARARBRARGIKBKBMEN1
SCHEMBL8433276 0.85 RARA (0.44) RARARARBRARGIKBKBMEN1
SCHEMBL8431715 0.85 RARB (0.43) 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-0776881-B1 Bi-aromatic compounds comprising an adamantyl group in para-position, pharmaceutical and cosmetic compositions containing them and their utilization CIRD GALDERMA (FR) 1999-12-08 EP claimed
EP-0776881-B1 Bi-aromatic compounds comprising an adamantyl group in para-position, pharmaceutical and cosmetic compositions containing them and their utilization CIRD GALDERMA (FR) 1999-12-08 EP disclosed
EP-0776881-A1 Bi-aromatic compounds comprising an adamantyl group in para-position, pharmaceutical and cosmetic compositions containing them and their utilization CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-06-04 EP disclosed