SCHEMBL8568941

SCHEMBL8568941

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.39
CNR1 P21554 4/20 0.38
HIF1A Q16665 2/20 0.37
EPAS1 Q99814 2/20 0.37
FAAH O00519 1/20 0.37
KDM4E B2RXH2 1/20 0.35
EPHX2 P34913 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
PTPN11 Q06124 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 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
SCHEMBL8570958 0.96 HIF1A (0.38) CNR2CNR1HIF1AEPAS1FAAH
SCHEMBL8570424 0.91 CNR2 (0.40) CNR2CNR1HIF1AEPAS1FAAH
SCHEMBL8569219 0.91 CNR2 (0.47) CNR2CNR1FAAHPTPN11LMNA
SCHEMBL8567786 0.91 CNR2 (0.47) CNR2CNR1FAAHPTPN11LMNA
SCHEMBL8572650 0.91 CNR2 (0.47) CNR2CNR1FAAHPTPN11LMNA
SCHEMBL8566872 0.91 CNR2 (0.47) CNR2CNR1FAAHPTPN11LMNA
SCHEMBL8569983 0.90 CNR2 (0.38) CNR2CNR1HIF1AEPAS1FAAH
SCHEMBL8570566 0.89 CNR1 (0.38) CNR2CNR1HIF1AEPAS1FAAH
SCHEMBL8570623 0.88 RAB9A (0.38) CNR2CNR1HIF1AEPAS1FAAH
SCHEMBL8574818 0.87 HIF1A (0.37) CNR2CNR1HIF1AEPAS1FAAH

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