SCHEMBL8614435

SCHEMBL8614435

COCCOCOc1ccc(C#Cc2ccc(C(N)=O)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.59
IKBKB O14920 4/20 0.59
RARG P13631 9/20 0.42
RARB P10826 5/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
PGR P06401 1/20 0.42
HSPD1 P10809 1/20 0.42
GOT1 P17174 1/20 0.42
GLRA1 P23415 1/20 0.42
BLM P54132 1/20 0.42
HSPE1 P61604 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PKM P14618 1/20 0.40
CNR2 P34972 1/20 0.40
S1PR1 P21453 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL8617716 0.91 RARA (0.70) RARAIKBKBRARGRARBMEN1
SCHEMBL9090675 0.91 RARA (0.60) RARAIKBKBRARGRARBMEN1
SCHEMBL8570423 0.90 RARA (0.59) RARAIKBKBRARGRARBMEN1
SCHEMBL8572384 0.88 IKBKB (0.56) RARAIKBKBRARGRARBMEN1
SCHEMBL8566520 0.87 RARA (0.54) RARAIKBKBRARGRARBMEN1
SCHEMBL8575213 0.86 RARA (0.54) RARAIKBKBRARGRARBMEN1
SCHEMBL8619133 0.85 RARA (0.52) RARAIKBKBRARGRARBMEN1
SCHEMBL8644620 0.85 RARA (0.52) RARAIKBKBRARGRARBMEN1
SCHEMBL8614430 0.85 RARA (0.43) RARAIKBKBRARGRARBMEN1
SCHEMBL8614545 0.84 IKBKB (0.58) RARAIKBKBRARGRARBMEN1

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