SCHEMBL8424327

SCHEMBL8424327

COCCOCOc1cc(OCOCCOC)c(C23CC4CC(CC(C4)C2)C3)cc1C(O)C#Cc1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.59
RARA P10276 7/20 0.57
RARG P13631 11/20 0.43
RARB P10826 5/20 0.43
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
PGR P06401 1/20 0.40
HSPD1 P10809 1/20 0.40
GOT1 P17174 1/20 0.40
GLRA1 P23415 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL8690854 0.92 IKBKB (0.50) IKBKBRARARARGRARBMEN1
SCHEMBL8432387 0.88 IKBKB (0.57) IKBKBRARARARGRARBMEN1
SCHEMBL8428553 0.88 IKBKB (0.63) IKBKBRARARARGRARBMEN1
SCHEMBL8424323 0.87 IKBKB (0.45) IKBKBRARARARGRARBMEN1
SCHEMBL8691125 0.86 IKBKB (0.49) IKBKBRARARARGRARB
SCHEMBL8690960 0.84 IKBKB (0.50) IKBKBRARARARGRARBMEN1
SCHEMBL8433279 0.84 RARA (0.62) IKBKBRARARARGRARBMEN1
SCHEMBL8617716 0.84 RARA (0.70) IKBKBRARARARGRARBMEN1
SCHEMBL8617074 0.83 RARA (0.60) IKBKBRARARARGRARBMEN1
SCHEMBL8690715 0.83 IKBKB (0.46) IKBKBRARARARGRARB

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