SCHEMBL8570897

SCHEMBL8570897

COC(=O)c1sc(C#Cc2ccccc2)c(O)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.40
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HIF1A Q16665 3/20 0.36
EPAS1 Q99814 1/20 0.36
PGR P06401 2/20 0.35
GRM5 P41594 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
EPHX2 P34913 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
ADORA3 P0DMS8 1/20 0.34

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 0.88 CNR2 (0.39) CNR2LMNAL3MBTL1KDM4EALDH1A1
SCHEMBL8569800 0.88 FFAR1 (0.35) LMNAL3MBTL1KDM4EMAPK1NPC1
SCHEMBL8569003 0.79 MAPK1 (0.35) CNR2LMNAL3MBTL1KDM4EALDH1A1
SCHEMBL8570978 0.79 MEN1 (0.37) CNR2LMNAL3MBTL1MAPK1NPC1
SCHEMBL8573061 0.68 KDM4E (0.41) CNR2LMNAL3MBTL1KDM4EALDH1A1
SCHEMBL8571816 0.67 EPHX2 (0.40) CNR2LMNAALDH1A1HIF1AEPAS1
SCHEMBL8567726 0.67 CNR2 (0.41) CNR2LMNAKDM4EHIF1AEPAS1
SCHEMBL6770716 0.66 APP (0.41) LMNAKDM4EALDH1A1NPC1RAB9A
SCHEMBL8567757 0.65 HNF4A (0.46) LMNAKDM4EALDH1A1MAPK1NPC1
SCHEMBL8572203 0.65 CNR2 (0.35) CNR2LMNAL3MBTL1KDM4ENPC1

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