SCHEMBL8618161

SCHEMBL8618161

CCCCCCOc1ccc(C#Cc2ccc(C(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.50
RARA P10276 4/20 0.50
RARG P13631 4/20 0.50
MEN1 O00255 1/20 0.50
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
PGR P06401 1/20 0.50
HSPD1 P10809 1/20 0.50
GOT1 P17174 1/20 0.50
GLRA1 P23415 1/20 0.50
BLM P54132 1/20 0.50
HSPE1 P61604 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
IKBKB O14920 2/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
PTPN11 Q06124 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL8615567 1.00 RARB (0.50) RARBRARARARGMEN1NR1I2
SCHEMBL8615790 1.00 RARB (0.50) RARBRARARARGMEN1NR1I2
SCHEMBL8614442 1.00 RARB (0.50) RARBRARARARGMEN1NR1I2
SCHEMBL8615250 0.92 RARA (0.56) RARBRARARARGMEN1NR1I2
SCHEMBL8617625 0.91 RARA (0.49) RARBRARARARGMEN1NR1I2
SCHEMBL8575202 0.90 PPARG (0.46) RARBRARARARGMEN1NR1I2
SCHEMBL8568116 0.90 PPARG (0.46) RARBRARARARGMEN1NR1I2
SCHEMBL8574873 0.90 PPARG (0.46) RARBRARARARGMEN1NR1I2
SCHEMBL8570912 0.90 PPARG (0.46) RARBRARARARGMEN1NR1I2
SCHEMBL9133374 0.90 RARA (0.55) RARBRARARARGMEN1NR1I2

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