SCHEMBL8570958

SCHEMBL8570958

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.38
EPAS1 Q99814 2/20 0.38
CNR2 P34972 5/20 0.37
CNR1 P21554 4/20 0.37
KDM4E B2RXH2 1/20 0.37
FAAH O00519 2/20 0.36
PTPN22 Q9Y2R2 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
EPHX2 P34913 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
SCHEMBL8568941 0.96 CNR2 (0.39) HIF1AEPAS1CNR2CNR1KDM4E
SCHEMBL8570623 0.90 RAB9A (0.38) HIF1AEPAS1CNR2CNR1KDM4E
SCHEMBL8567786 0.89 CNR2 (0.47) CNR2CNR1FAAHALDH1A1LMNA
SCHEMBL8566872 0.89 CNR2 (0.47) CNR2CNR1FAAHALDH1A1LMNA
SCHEMBL8574818 0.89 HIF1A (0.37) HIF1AEPAS1CNR2CNR1KDM4E
SCHEMBL8569219 0.89 CNR2 (0.47) CNR2CNR1FAAHALDH1A1LMNA
SCHEMBL8572650 0.89 CNR2 (0.47) CNR2CNR1FAAHALDH1A1LMNA
SCHEMBL8570424 0.89 CNR2 (0.40) HIF1AEPAS1CNR2CNR1KDM4E
SCHEMBL8570566 0.89 CNR1 (0.38) HIF1AEPAS1CNR2CNR1KDM4E
SCHEMBL8569983 0.88 CNR2 (0.38) HIF1AEPAS1CNR2CNR1KDM4E

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