SCHEMBL8566037

SCHEMBL8566037

O=C(O)c1ccccc1C#Cc1ccc(OCC2CC2)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
RARA P10276 5/20 0.38
RARB P10826 4/20 0.38
RARG P13631 4/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
PGR P06401 1/20 0.38
HSPD1 P10809 1/20 0.38
GOT1 P17174 1/20 0.38
GLRA1 P23415 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL8567955 0.87 FAAH (0.47) FAAHCNR1CNR2HIF1AEPAS1
SCHEMBL8570953 0.86 RARA (0.39) FAAHCNR1CNR2HIF1AEPAS1
SCHEMBL8567722 0.86 RARA (0.51) FAAHCNR2HIF1AEPAS1RARA
SCHEMBL8619681 0.85 RARA (0.48) RARARARBRARGMEN1NR1I2
SCHEMBL8568931 0.85 RARA (0.40) FAAHCNR1CNR2HIF1AEPAS1
SCHEMBL8570613 0.85 RARA (0.38) FAAHCNR1CNR2HIF1AEPAS1
SCHEMBL8567783 0.84 CNR2 (0.47) FAAHCNR1CNR2RARARARB
SCHEMBL8570419 0.84 RARA (0.44) FAAHCNR1CNR2HIF1AEPAS1
SCHEMBL8569212 0.84 CNR2 (0.47) FAAHCNR1CNR2RARARARB
SCHEMBL8566864 0.84 CNR2 (0.47) FAAHCNR1CNR2RARARARB

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