SCHEMBL8569853

SCHEMBL8569853

C#Cc1ccc(OC(OC)(OC)OCC)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.34
RARA P10276 3/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 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
HDAC11 Q96DB2 2/20 0.32
HDAC2 Q92769 1/20 0.32
IKBKB O14920 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31

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
SCHEMBL566677 0.79 RARA (0.48) S1PR1RARARARBRARGMEN1
SCHEMBL8572141 0.76 S1PR1 (0.34) S1PR1RARARARBRARGMEN1
SCHEMBL8572145 0.73 RARA (0.55) S1PR1RARARARBRARGMEN1
SCHEMBL8572140 0.71 RARA (0.38) S1PR1RARARARBRARGMEN1
SCHEMBL8397930 0.69 CNR2 (0.31) S1PR1
SCHEMBL9251196 0.67 RARA (0.51) S1PR1RARARARBRARGMEN1
SCHEMBL8621129 0.66 RARA (0.41) S1PR1RARARARBRARGMEN1
SCHEMBL8397932 0.66 IKBKB (0.48) S1PR1RARARARBRARGMEN1
SCHEMBL8424501 0.66 S1PR1 (0.34) S1PR1RARARARBRARGMEN1
SCHEMBL8570408 0.66 RARA (0.47) S1PR1RARARARBRARGMEN1

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-0743348-B1 Screw cap gasket for airtight packed products, especially food, and process for its production SONDERHOFF ERNST FA (DE) 1999-12-08 EP 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
EP-0743348-A1 Screw cap gasket for airtight packed products, especially food, and process for its production ERNST SONDERHOFF GmbH & Co. KG (DE) 1996-11-20 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