SCHEMBL8570993

SCHEMBL8570993

CC(CO)COc1ccc(C(=O)O)c(C#Cc2ccccc2)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
HIF1A Q16665 2/20 0.36
EPAS1 Q99814 2/20 0.36
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.32
IKBKB O14920 1/20 0.31
EPHX2 P34913 2/20 0.31
FAAH O00519 3/20 0.31
CNR2 P34972 3/20 0.31
CNR1 P21554 2/20 0.31
S1PR1 P21453 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL8566702 0.90 RARB (0.47) RARARARBRARGHIF1AEPAS1
SCHEMBL8570958 0.84 HIF1A (0.38) RARARARBRARGHIF1AEPAS1
SCHEMBL8568404 0.83 IKBKB (0.35) RARARARBRARGHIF1AEPAS1
SCHEMBL8567961 0.83 FAAH (0.47) HIF1AEPAS1KDM4EEPHX2FAAH
SCHEMBL8567726 0.83 CNR2 (0.41) RARARARBRARGHIF1AEPAS1
SCHEMBL8568941 0.83 CNR2 (0.39) RARARARBRARGHIF1AEPAS1
SCHEMBL8566045 0.82 FAAH (0.41) HIF1AEPAS1KDM4EMAPK1LMNA
SCHEMBL8572650 0.82 CNR2 (0.47) LMNAFAAHCNR2CNR1MEN1
SCHEMBL8566872 0.82 CNR2 (0.47) LMNAFAAHCNR2CNR1MEN1
SCHEMBL8569219 0.82 CNR2 (0.47) LMNAFAAHCNR2CNR1MEN1

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