SCHEMBL8568404

SCHEMBL8568404

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.35
HIF1A Q16665 2/20 0.35
EPAS1 Q99814 2/20 0.35
RARA P10276 2/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
S1PR1 P21453 1/20 0.32
CNR2 P34972 4/20 0.32
FAAH O00519 2/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
DHODH Q02127 1/20 0.31
P2RX7 Q99572 1/20 0.31
KMT2A Q03164 2/20 0.31
GPR55 Q9Y2T6 1/20 0.31
MEN1 O00255 1/20 0.31
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
HSPD1 P10809 1/20 0.31

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
SCHEMBL8574908 0.94 IKBKB (0.33) IKBKBHIF1AEPAS1RARALMNA
SCHEMBL8575216 0.89 IKBKB (0.34) IKBKBHIF1AEPAS1RARAKDM4E
SCHEMBL8566523 0.88 IKBKB (0.32) IKBKBRARAKMT2AMEN1
SCHEMBL8394301 0.86 HIF1A (0.36) IKBKBHIF1AEPAS1RARAKDM4E
SCHEMBL8570620 0.86 IKBKB (0.31) IKBKB
SCHEMBL8568790 0.85 IKBKB (0.31) IKBKBRARA
SCHEMBL8570993 0.83 RARA (0.37) IKBKBHIF1AEPAS1RARAKDM4E
SCHEMBL8567726 0.83 CNR2 (0.41) HIF1AEPAS1RARAKDM4ELMNA
SCHEMBL8570424 0.82 CNR2 (0.40) IKBKBHIF1AEPAS1RARAKDM4E
SCHEMBL8573237 0.82 CNR2 (0.33) IKBKBHIF1AEPAS1RARAKDM4E

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 3 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-5827500-A TOPICAL SKIN TESTING THE ANIMAL RESPONSES BY APPLYING RETINOIC ACID RECEPTOR AGONIST AND ANTAGONIST CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-10-27 US disclosed
US-5798354-A COSMETIC, THERAPY CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-08-25 US disclosed