SCHEMBL8570620

SCHEMBL8570620

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

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.31
PDE4D Q08499 2/20 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
SCHEMBL8566523 0.89 IKBKB (0.32) IKBKB
SCHEMBL8568404 0.86 IKBKB (0.35) IKBKB
SCHEMBL8575216 0.86 IKBKB (0.34) IKBKB
SCHEMBL8574908 0.85 IKBKB (0.33) IKBKB
SCHEMBL8568790 0.84 IKBKB (0.31) IKBKB
SCHEMBL8570612 0.81 PDE4D (0.30) PDE4D
SCHEMBL8691802 0.78 EPHX2 (0.35) IKBKB
SCHEMBL8570607 0.76 RARA (0.35) IKBKB
SCHEMBL8397842 0.76 MEN1 (0.31) IKBKB
SCHEMBL8615258 0.74 S1PR1 (0.39) IKBKB

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