SCHEMBL8570623

SCHEMBL8570623

NC(=O)CCCOc1ccc(C(=O)O)c(C#Cc2ccccc2)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 4/20 0.37
EPAS1 Q99814 3/20 0.37
KDM4E B2RXH2 2/20 0.35
FAAH O00519 2/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
ALDH1A1 P00352 3/20 0.34
PTPN22 Q9Y2R2 1/20 0.33
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
EPHX2 P34913 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL8569983 0.96 CNR2 (0.38) RAB9AMEN1KMT2AHIF1AEPAS1
SCHEMBL8570958 0.90 HIF1A (0.38) RAB9AMEN1KMT2AHIF1AEPAS1
SCHEMBL8568941 0.88 CNR2 (0.39) HIF1AEPAS1KDM4EFAAHCNR1
SCHEMBL8570566 0.87 CNR1 (0.38) HIF1AEPAS1KDM4EFAAHCNR1
SCHEMBL8570424 0.87 CNR2 (0.40) MEN1KMT2AHIF1AEPAS1KDM4E
SCHEMBL8566872 0.87 CNR2 (0.47) MEN1KMT2AFAAHCNR1CNR2
SCHEMBL8567786 0.87 CNR2 (0.47) MEN1KMT2AFAAHCNR1CNR2
SCHEMBL8572650 0.87 CNR2 (0.47) MEN1KMT2AFAAHCNR1CNR2
SCHEMBL8569219 0.87 CNR2 (0.47) MEN1KMT2AFAAHCNR1CNR2
SCHEMBL8574818 0.87 HIF1A (0.37) RAB9AHIF1AEPAS1KDM4EFAAH

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