SCHEMBL8568935

SCHEMBL8568935

C#Cc1cc(C23CC4CC(CC(C4)C2)C3)c(OCOCCOC)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.46
RARA P10276 4/20 0.46
S1PR1 P21453 1/20 0.36
RARG P13631 4/20 0.33
LMNA P02545 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
RARB P10826 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NR1I2 O75469 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
ALDH1A1 P00352 3/20 0.33
ALOX12 P18054 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8571683 0.95 IKBKB (0.48) IKBKBRARAS1PR1RARGLMNA
SCHEMBL8570403 0.83 LMNA (0.41) RARAS1PR1RARGLMNATDP1
SCHEMBL8572145 0.82 RARA (0.55) IKBKBRARAS1PR1RARGLMNA
SCHEMBL8397932 0.82 IKBKB (0.48) IKBKBRARAS1PR1RARGLMNA
SCHEMBL8568927 0.81 S1PR1 (0.34) IKBKBRARAS1PR1RARGLMNA
SCHEMBL8572262 0.80 IKBKB (0.51) IKBKBRARAS1PR1RARGLMNA
SCHEMBL8617074 0.80 RARA (0.60) IKBKBRARAS1PR1RARGLMNA
SCHEMBL8428797 0.80 RARA (0.47) IKBKBRARAS1PR1RARGLMNA
SCHEMBL9090600 0.79 IKBKB (0.51) IKBKBRARAS1PR1RARGLMNA
SCHEMBL8566497 0.78 RARA (0.50) IKBKBRARAS1PR1RARGLMNA

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