SCHEMBL8568844

SCHEMBL8568844

COCCOCOc1cc(O)c(C=O)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.52
RARA P10276 5/20 0.52
S1PR1 P21453 1/20 0.36
RARG P13631 4/20 0.34
RARB P10826 3/20 0.34
HDAC11 Q96DB2 2/20 0.33
HDAC2 Q92769 1/20 0.33
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
PGR P06401 1/20 0.33
HSPD1 P10809 1/20 0.33
GOT1 P17174 1/20 0.33
GLRA1 P23415 1/20 0.33
BLM P54132 1/20 0.33
HSPE1 P61604 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL8428529 0.90 RARA (0.52) IKBKBRARAS1PR1RARGRARB
SCHEMBL8572262 0.88 IKBKB (0.51) IKBKBRARAS1PR1RARGRARB
SCHEMBL8568838 0.82 IKBKB (0.35) IKBKBRARAS1PR1RARGRARB
SCHEMBL8458308 0.81 RARA (0.45) RARAS1PR1RARGRARBHDAC11
SCHEMBL5888286 0.80 RARA (0.64) IKBKBRARAS1PR1RARGRARB
SCHEMBL8394251 0.80 IKBKB (0.56) IKBKBRARARARGRARBHDAC11
SCHEMBL7690770 0.78 RARA (0.54) IKBKBRARAS1PR1RARGRARB
SCHEMBL7689406 0.77 RARA (0.58) IKBKBRARAS1PR1RARGRARB
SCHEMBL25231200 0.75 EGFR (0.37) RARGLMNA
SCHEMBL25233932 0.75 EGFR (0.37) LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5798354-A COSMETIC, THERAPY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-08-25 US disclosed
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