SCHEMBL14570488

SCHEMBL14570488

COCCOCCOP(C)(=O)OCCOCCO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.42
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA2 P00918 2/20 0.32
PPARD Q03181 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
SCHEMBL28948998 0.94 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL28948999 0.94 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL10308499 0.94 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL21097169 0.89 PKM (0.39) PKMCA2PPARD
SCHEMBL10308500 0.89 CYP3A4 (0.43) TSHRCYP3A4PKMCA2
SCHEMBL14582791 0.88 MEN1 (0.46) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL10308503 0.86 ALDH1A1 (0.44) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL15807261 0.85 CYP3A4 (0.40) TSHRCYP3A4PKMCA2
SCHEMBL13471450 0.85 CYP3A4 (0.40) TSHRCYP3A4PKMCA2
SCHEMBL10308502 0.85 CYP3A4 (0.40) TSHRCYP3A4PKMCA2

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-7186826-B2 Phosphorus-containing compounds and uses thereof ARIAD GENE THERAPEUTICS, INC. (US) 2007-03-06 US disclosed