SCHEMBL8566045

SCHEMBL8566045

O=C(O)c1ccc(OCC2CC2)c(C23CC4CC(CC(C4)C2)C3)c1C#Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
HIF1A Q16665 2/20 0.38
EPAS1 Q99814 2/20 0.38
VCP P55072 4/20 0.37
KDM4E B2RXH2 1/20 0.37
PTGES O14684 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 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
SCHEMBL8567961 0.87 FAAH (0.47) FAAHCNR1CNR2HIF1AEPAS1
SCHEMBL8570958 0.86 HIF1A (0.38) FAAHCNR1CNR2HIF1AEPAS1
SCHEMBL8568941 0.84 CNR2 (0.39) FAAHCNR1CNR2HIF1AEPAS1
SCHEMBL8570623 0.84 RAB9A (0.38) FAAHCNR1CNR2HIF1AEPAS1
SCHEMBL8567726 0.84 CNR2 (0.41) FAAHCNR2HIF1AEPAS1KDM4E
SCHEMBL8566872 0.83 CNR2 (0.47) FAAHCNR1CNR2LMNAMEN1
SCHEMBL8572650 0.83 CNR2 (0.47) FAAHCNR1CNR2LMNAMEN1
SCHEMBL8570424 0.83 CNR2 (0.40) FAAHCNR1CNR2HIF1AEPAS1
SCHEMBL8569219 0.83 CNR2 (0.47) FAAHCNR1CNR2LMNAMEN1
SCHEMBL8566702 0.83 RARB (0.47) FAAHCNR1CNR2HIF1AEPAS1

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