SCHEMBL8570566

SCHEMBL8570566

CC(=O)OCCCCOc1ccc(C(=O)O)c(C#Cc2ccccc2)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
FAAH O00519 1/20 0.38
HIF1A Q16665 2/20 0.37
EPAS1 Q99814 2/20 0.37
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGS2 P35354 1/20 0.33
EPHX2 P34913 2/20 0.33
PTPN22 Q9Y2R2 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
SCHEMBL8574818 0.98 HIF1A (0.37) CNR1CNR2FAAHHIF1AEPAS1
SCHEMBL8567786 0.90 CNR2 (0.47) CNR1CNR2FAAHLMNA
SCHEMBL8569219 0.90 CNR2 (0.47) CNR1CNR2FAAHLMNA
SCHEMBL8570424 0.90 CNR2 (0.40) CNR1CNR2FAAHHIF1AEPAS1
SCHEMBL8572650 0.90 CNR2 (0.47) CNR1CNR2FAAHLMNA
SCHEMBL8566872 0.90 CNR2 (0.47) CNR1CNR2FAAHLMNA
SCHEMBL8568941 0.89 CNR2 (0.39) CNR1CNR2FAAHHIF1AEPAS1
SCHEMBL8570958 0.89 HIF1A (0.38) CNR1CNR2FAAHHIF1AEPAS1
SCHEMBL8569983 0.88 CNR2 (0.38) CNR1CNR2FAAHHIF1AEPAS1
SCHEMBL8570623 0.87 RAB9A (0.38) CNR1CNR2FAAHHIF1AEPAS1

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