SCHEMBL8433281

SCHEMBL8433281

CCOC(OC)Oc1cc(C(=O)C=Cc2ccc(C(=O)O)cc2)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.57
IKBKB O14920 1/20 0.57
RARB P10826 5/20 0.46
RARG P13631 4/20 0.46
HDAC11 Q96DB2 4/20 0.43
HDAC2 Q92769 1/20 0.41
ABCG2 Q9UNQ0 4/20 0.40
XDH P47989 1/20 0.40
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
HSPD1 P10809 1/20 0.39
GOT1 P17174 1/20 0.39
GLRA1 P23415 1/20 0.39
BLM P54132 1/20 0.39
HSPE1 P61604 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CXCL12 P48061 1/20 0.39

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
SCHEMBL8426159 0.93 RARA (0.64) RARAIKBKBRARBRARGHDAC11
SCHEMBL8433865 0.91 RARA (0.54) RARAIKBKBRARBRARGHDAC11
SCHEMBL8397882 0.88 RARG (0.48) RARAIKBKBRARBRARGMEN1
SCHEMBL8431926 0.87 RARG (0.63) RARAIKBKBRARBRARGMEN1
SCHEMBL8431871 0.87 RARG (0.63) RARAIKBKBRARBRARGMEN1
SCHEMBL8428593 0.86 RARA (0.55) RARAIKBKBRARBRARGHDAC11
SCHEMBL5887965 0.85 RARA (0.57) RARAIKBKBRARBRARGHDAC11
SCHEMBL6536959 0.84 RARA (0.65) RARAIKBKBRARBRARGHDAC11
SCHEMBL6570332 0.84 RARA (0.65) RARAIKBKBRARBRARGHDAC11
SCHEMBL8431715 0.84 RARB (0.43) RARAIKBKBRARBRARGMEN1

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
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