SCHEMBL8568880

SCHEMBL8568880

COC(C)OC(C)c1ccc(C(=O)O)c(C#Cc2ccccc2)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
CNR2 P34972 2/20 0.32
FAAH O00519 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
P2RX7 Q99572 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRM5 P41594 1/20 0.30
EPHX2 P34913 2/20 0.30
PTPN22 Q9Y2R2 1/20 0.30
HNF4A P41235 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
SCHEMBL8568458 0.89 HIF1A (0.33) KDM4EHIF1AEPAS1CNR2LMNA
SCHEMBL8568404 0.81 IKBKB (0.35) KDM4EHIF1AEPAS1CNR2FAAH
SCHEMBL8567726 0.80 CNR2 (0.41) KDM4EHIF1AEPAS1CNR2FAAH
SCHEMBL8574334 0.79 HIF1A (0.33) KDM4EHIF1AEPAS1CNR2LMNA
SCHEMBL8567757 0.78 HNF4A (0.46) KDM4EHIF1AEPAS1MEN1KMT2A
SCHEMBL8573237 0.77 CNR2 (0.33) KDM4EHIF1AEPAS1CNR2FAAH
SCHEMBL8394301 0.76 HIF1A (0.36) KDM4EHIF1AEPAS1CNR2FAAH
SCHEMBL8570993 0.75 RARA (0.37) KDM4EHIF1AEPAS1CNR2FAAH
SCHEMBL8574908 0.75 IKBKB (0.33) HIF1AEPAS1CNR2FAAHP2RX7
SCHEMBL8617044 0.74 RARB (0.45) KDM4EMEN1KMT2ALMNAMAPK1

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