SCHEMBL8615261

SCHEMBL8615261

COC(C)OCOc1ccc(C#Cc2ccc(C(=O)O)c(O)c2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.42
IKBKB O14920 5/20 0.42
RARB P10826 4/20 0.39
RARG P13631 4/20 0.39
MEN1 O00255 1/20 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
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
S1PR1 P21453 1/20 0.38
EPHX2 P34913 1/20 0.34
HDAC11 Q96DB2 2/20 0.34
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL9091280 0.92 EPHX2 (0.40) RARAIKBKBRARBRARGMEN1
SCHEMBL8617706 0.88 RARA (0.51) RARAIKBKBRARBRARGMEN1
SCHEMBL8573235 0.88 RARA (0.41) RARAIKBKBRARBRARGMEN1
SCHEMBL8616853 0.86 RARA (0.38) RARAIKBKBRARBRARGMEN1
SCHEMBL6429954 0.85 RARA (0.57) RARAIKBKBRARBRARGMEN1
SCHEMBL9090664 0.84 RARA (0.43) RARAIKBKBRARBRARGMEN1
SCHEMBL8644363 0.84 RARA (0.38) RARAIKBKBRARBRARGMEN1
SCHEMBL8616806 0.84 RARA (0.43) RARAIKBKBRARBRARGMEN1
SCHEMBL8616383 0.84 S1PR1 (0.41) RARAIKBKBRARBRARGMEN1
SCHEMBL8614430 0.84 RARA (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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679631-B1 Biaromatic acetylated, an adamantyl group containing compounds, pharmaceutical and cosmetic compositions containing them and their use CIRD GALDERMA (FR) 1998-05-06 EP claimed
US-5574036-A Adamantyl-substituted polycyclic acetylene compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1996-11-12 US claimed
EP-0679631-B1 Biaromatic acetylated, an adamantyl group containing compounds, pharmaceutical and cosmetic compositions containing them and their use CIRD GALDERMA (FR) 1998-05-06 EP disclosed
US-5574036-A Adamantyl-substituted polycyclic acetylene compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1996-11-12 US disclosed
EP-0679631-A1 Biaromatic acetylated, an adamantyl group containing compounds, pharmaceutical and cosmetic compositions containing them and their use CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-11-02 EP disclosed