SCHEMBL8569003

SCHEMBL8569003

CCOC(OC)Oc1c(C#Cc2ccccc2)sc(C(=O)OC)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ADORA3 P0DMS8 1/20 0.34
CNR2 P34972 8/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HIF1A Q16665 3/20 0.33
EPAS1 Q99814 1/20 0.32
CNR1 P21554 1/20 0.32
MAPT P10636 1/20 0.31
EPHX2 P34913 1/20 0.31
FAAH O00519 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL8574975 0.84 CNR2 (0.39) MAPK1LMNAL3MBTL1ADORA3CNR2
SCHEMBL8570897 0.79 CNR2 (0.40) MAPK1LMNAL3MBTL1ADORA3CNR2
SCHEMBL8570978 0.76 MEN1 (0.37) MAPK1LMNAL3MBTL1CNR2NPC1
SCHEMBL8573237 0.74 CNR2 (0.33) MAPK1LMNAL3MBTL1CNR2NPC1
SCHEMBL8575210 0.74 CNR2 (0.32) MAPK1LMNAL3MBTL1ADORA3CNR2
SCHEMBL8570612 0.71 PDE4D (0.30)
SCHEMBL8571821 0.71
SCHEMBL8616809 0.70 RARA (0.41) LMNACNR2HIF1AEPAS1EPHX2
SCHEMBL8658216 0.68 HDAC11 (0.35) LMNACNR2HIF1AMEN1KMT2A
SCHEMBL8569800 0.68 FFAR1 (0.35) MAPK1LMNAL3MBTL1NPC1RAB9A

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 1 patent. 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