SCHEMBL8567790

SCHEMBL8567790

CCOC(OC)Oc1cc(OCOCCOC)c(C#Cc2ccccc2C(=O)O)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.45
RARA P10276 4/20 0.45
RARG P13631 6/20 0.33
FAAH O00519 3/20 0.33
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.33
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
RARB P10826 2/20 0.31
MEN1 O00255 1/20 0.31
NR1I2 O75469 1/20 0.31
LMNA P02545 1/20 0.31
PGR P06401 1/20 0.31
HSPD1 P10809 1/20 0.31
GOT1 P17174 1/20 0.31
GLRA1 P23415 1/20 0.31
BLM P54132 1/20 0.31
HSPE1 P61604 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8613582 0.89 RARA (0.53) IKBKBRARARARGRARBMEN1
SCHEMBL8566494 0.88 RARA (0.38) RARARARGFAAHCNR2RARB
SCHEMBL9091297 0.85 IKBKB (0.45) IKBKBRARARARGHIF1AEPAS1
SCHEMBL8394296 0.83 CNR2 (0.35) RARARARGFAAHCNR2CNR1
SCHEMBL8568397 0.83 RARA (0.38) IKBKBRARARARGFAAHCNR2
SCHEMBL8691125 0.79 IKBKB (0.49) IKBKBRARARARGFAAHCNR2
SCHEMBL8397789 0.79 CNR2 (0.35) RARARARGFAAHCNR2CNR1
SCHEMBL8397873 0.78 CNR2 (0.35) RARARARGFAAHCNR2CNR1
SCHEMBL8690301 0.78 RARA (0.36) IKBKBRARARARGFAAHCNR2
SCHEMBL8616957 0.77 RARA (0.45) IKBKBRARARARGRARBMEN1

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