SCHEMBL8617633

SCHEMBL8617633

CCNC(=O)c1ccc(C#Cc2ccc(OCOC(C)OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.43
PPARA Q07869 9/20 0.43
PPARD Q03181 8/20 0.43
IKBKB O14920 3/20 0.42
RARA P10276 3/20 0.42
ACACB O00763 2/20 0.41
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
PGR P06401 1/20 0.38
HSPD1 P10809 1/20 0.38
GOT1 P17174 1/20 0.38
GLRA1 P23415 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8431849 0.93 PPARG (0.41) PPARGPPARAPPARDIKBKBRARA
SCHEMBL8616806 0.89 RARA (0.43) PPARGPPARAPPARDIKBKBRARA
SCHEMBL8617706 0.88 RARA (0.51) IKBKBRARARARBRARGMEN1
SCHEMBL9090664 0.88 RARA (0.43) PPARGPPARAPPARDIKBKBRARA
SCHEMBL8614430 0.88 RARA (0.43) PPARGPPARAPPARDIKBKBRARA
SCHEMBL8572384 0.87 IKBKB (0.56) PPARGPPARAPPARDIKBKBRARA
SCHEMBL8616853 0.84 RARA (0.38) IKBKBRARAACACBRARBRARG
SCHEMBL8644363 0.84 RARA (0.38) IKBKBRARAACACBRARBRARG
SCHEMBL7758465 0.84 RARA (0.56) PPARGPPARAPPARDIKBKBRARA
SCHEMBL5888249 0.84 RARA (0.56) PPARGPPARAPPARDIKBKBRARA

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 6 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-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 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