SCHEMBL8566523

SCHEMBL8566523

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
RARA P10276 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
SCHEMBL8570620 0.89 IKBKB (0.31) IKBKB
SCHEMBL8568404 0.88 IKBKB (0.35) IKBKBMEN1KMT2ARARA
SCHEMBL8575216 0.88 IKBKB (0.34) IKBKBMEN1KMT2ARARA
SCHEMBL8574908 0.87 IKBKB (0.33) IKBKBRARA
SCHEMBL8568790 0.86 IKBKB (0.31) IKBKBRARA
SCHEMBL8397842 0.85 MEN1 (0.31) IKBKBMEN1KMT2A
SCHEMBL8394301 0.76 HIF1A (0.36) IKBKBMEN1KMT2ARARA
SCHEMBL8616853 0.75 RARA (0.38) IKBKBMEN1KMT2ARARA
SCHEMBL8566503 0.73 RARA (0.35) IKBKBMEN1KMT2ARARA
SCHEMBL8436371 0.73 S1PR1 (0.34) IKBKBMEN1KMT2ARARA

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 disclosed