SCHEMBL8424323

SCHEMBL8424323

COC(C)OCOc1cc(OCOC(C)OC)c(C23CC4CC(CC(C4)C2)C3)cc1C(O)C#Cc1ccc(C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.45
RARA P10276 10/20 0.43
RARB P10826 8/20 0.40
RARG P13631 8/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 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
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
NR2E1 Q9Y466 1/20 0.35

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
SCHEMBL8690857 0.93 IKBKB (0.38) IKBKBRARARARBRARGMEN1
SCHEMBL8432390 0.88 IKBKB (0.43) IKBKBRARARARBRARGMEN1
SCHEMBL8428556 0.88 IKBKB (0.48) IKBKBRARARARBRARGMEN1
SCHEMBL8424327 0.87 IKBKB (0.59) IKBKBRARARARBRARGMEN1
SCHEMBL8618854 0.86 RARA (0.46) IKBKBRARARARBRARGMEN1
SCHEMBL8617706 0.85 RARA (0.51) IKBKBRARARARBRARGMEN1
SCHEMBL8433273 0.85 RARA (0.45) IKBKBRARARARBRARGMEN1
SCHEMBL8616959 0.85 RARA (0.45) IKBKBRARARARBRARGMEN1
SCHEMBL8432000 0.82 RARA (0.43) IKBKBRARARARBRARGMEN1
SCHEMBL8613583 0.81 RARA (0.55) IKBKBRARARARBRARGMEN1

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