SCHEMBL4321069

SCHEMBL4321069

O=C(O)c1cc(COC2CCCCO2)c(C2CCCCC2)c(C(=O)O)c1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CREBBP Q92793 2/20 0.37
EP300 Q09472 1/20 0.37
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
ACMSD Q8TDX5 2/20 0.33
HSD17B10 Q99714 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
KMO O15229 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 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
SCHEMBL4321067 0.77 CREBBP (0.40) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL4683757 0.76 MEN1 (0.48) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL4322060 0.75 MEN1 (0.50) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL4308386 0.74 CREBBP (0.42) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL14989164 0.74 ACMSD (0.49) MEN1KMT2AACMSDKMOKDM4E
SCHEMBL4311031 0.73 MEN1 (0.40) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL4309447 0.71 CREBBP (0.59) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL4304338 0.70 MEN1 (0.35) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL7975649 0.70 MEN1 (0.44) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL4311192 0.70 CREBBP (0.44) MEN1KMT2ACREBBPEP300ICAM1

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
WO-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 WO disclosed