SCHEMBL8424430

SCHEMBL8424430

COC(C)OCOc1ccc(C(=O)N(C)c2ccc(C(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 10/20 0.49
IKBKB O14920 7/20 0.49
RARB P10826 6/20 0.46
RARG P13631 6/20 0.46
PGR P06401 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
HSPD1 P10809 1/20 0.43
GOT1 P17174 1/20 0.43
GLRA1 P23415 1/20 0.43
BLM P54132 1/20 0.43
HSPE1 P61604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP26B1 Q9NR63 1/20 0.37
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
NR2E1 Q9Y466 1/20 0.35
RXRA P19793 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
SCHEMBL5888166 0.89 RARA (0.55) RARAIKBKBRARBRARGPGR
SCHEMBL8424858 0.85 RARA (0.52) RARAIKBKBRARBRARGPGR
SCHEMBL8426205 0.84 RARA (0.51) RARAIKBKBRARBRARGPGR
SCHEMBL8428653 0.83 RARA (0.50) RARAIKBKBRARBRARGPGR
SCHEMBL5888296 0.83 RARA (0.48) RARAIKBKBRARBRARGPGR
SCHEMBL8694753 0.83 RARA (0.48) RARAIKBKBRARBRARGPGR
SCHEMBL8617706 0.83 RARA (0.51) RARAIKBKBRARBRARGPGR
SCHEMBL5887970 0.83 RARA (0.60) RARAIKBKBRARBRARGPGR
SCHEMBL5887963 0.83 RARA (0.60) RARAIKBKBRARBRARGPGR
SCHEMBL5887932 0.82 RARA (0.71) RARAIKBKBRARBRARGPGR

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-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