SCHEMBL8575216

SCHEMBL8575216

COC(C)OCOc1ccc(OC(C)=O)c(C#Cc2ccccc2)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.34
RARA P10276 1/20 0.32
PTPN1 P18031 1/20 0.32
S1PR1 P21453 1/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR2 P34972 1/20 0.31
EPHX2 P34913 2/20 0.30
HIF1A Q16665 1/20 0.30
EPAS1 Q99814 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8568404 0.89 IKBKB (0.35) IKBKBRARAS1PR1LMNAMAPK1
SCHEMBL8574908 0.88 IKBKB (0.33) IKBKBRARAS1PR1LMNAMAPK1
SCHEMBL8566523 0.88 IKBKB (0.32) IKBKBRARAMEN1KMT2A
SCHEMBL8570620 0.86 IKBKB (0.31) IKBKB
SCHEMBL8568790 0.85 IKBKB (0.31) IKBKBRARA
SCHEMBL8575210 0.83 CNR2 (0.32) LMNAMAPK1L3MBTL1CNR2
SCHEMBL8575207 0.79 RARA (0.37) IKBKBRARAS1PR1LMNAMEN1
SCHEMBL8616383 0.79 S1PR1 (0.41) IKBKBRARAS1PR1LMNAEPHX2
SCHEMBL8394301 0.77 HIF1A (0.36) IKBKBRARAS1PR1LMNAMAPK1
SCHEMBL8574176 0.76 RARA (0.38) IKBKBRARAS1PR1LMNAMEN1

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 claimed