SCHEMBL4304338

SCHEMBL4304338

O=C(O)c1cc(COC2CCCCO2)c(CC2CC3CCC2C3)c(C(=O)O)c1CC1CC2CCC1C2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CREBBP Q92793 2/20 0.33
EP300 Q09472 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33

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
SCHEMBL4304334 0.81 CREBBP (0.35) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL4308386 0.75 CREBBP (0.42) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL4311031 0.75 MEN1 (0.40) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL4304330 0.71 CREBBP (0.40) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL4321069 0.70 MEN1 (0.41) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL4683757 0.69 MEN1 (0.48) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL4322060 0.69 MEN1 (0.50) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL4309447 0.65 CREBBP (0.59) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL7975649 0.64 MEN1 (0.44) MEN1KMT2ACREBBPEP300ICAM1
SCHEMBL3811958 0.63 KMT2A (0.64) 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