SCHEMBL8568458

SCHEMBL8568458

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
CNR2 P34972 2/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.30
EPHX2 P34913 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
SCHEMBL8568880 0.89 KDM4E (0.33) HIF1AEPAS1CNR2KDM4ELMNA
SCHEMBL8574334 0.87 HIF1A (0.33) HIF1AEPAS1CNR2KDM4ELMNA
SCHEMBL8568404 0.80 IKBKB (0.35) HIF1AEPAS1CNR2KDM4ELMNA
SCHEMBL8573237 0.78 CNR2 (0.33) HIF1AEPAS1CNR2KDM4ELMNA
SCHEMBL8567726 0.77 CNR2 (0.41) HIF1AEPAS1CNR2KDM4ELMNA
SCHEMBL8394301 0.75 HIF1A (0.36) HIF1AEPAS1CNR2KDM4ELMNA
SCHEMBL8567757 0.75 HNF4A (0.46) HIF1AEPAS1KDM4ELMNAMAPK1
SCHEMBL8570993 0.74 RARA (0.37) HIF1AEPAS1CNR2KDM4ELMNA
SCHEMBL8574908 0.74 IKBKB (0.33) HIF1AEPAS1CNR2LMNAMAPK1
SCHEMBL8570424 0.73 CNR2 (0.40) HIF1AEPAS1CNR2KDM4ELMNA

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