SCHEMBL4304334

SCHEMBL4304334

O=C(O)c1cc(COC2CCCCO2)cc(C(=O)OCC2CC3CCC2C3)c1CC1CC2CCC1C2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.35
EP300 Q09472 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 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
SCHEMBL4304330 0.84 CREBBP (0.40) CREBBPEP300MEN1KMT2AICAM1
SCHEMBL4304338 0.81 MEN1 (0.35) CREBBPEP300MEN1KMT2AICAM1
SCHEMBL4308381 0.72 ALDH1A1 (0.47) CREBBPEP300MEN1KMT2AICAM1
SCHEMBL4311027 0.71 CREBBP (0.41) CREBBPEP300MEN1KMT2AALDH1A1
SCHEMBL4309447 0.68 CREBBP (0.59) CREBBPEP300MEN1KMT2AICAM1
SCHEMBL4683757 0.67 MEN1 (0.48) CREBBPEP300MEN1KMT2AICAM1
SCHEMBL4311192 0.66 CREBBP (0.44) CREBBPEP300MEN1KMT2AICAM1
SCHEMBL4321067 0.64 CREBBP (0.40) CREBBPEP300MEN1KMT2AICAM1
SCHEMBL4315290 0.64 CREBBP (0.58) CREBBPEP300MEN1KMT2AICAM1
SCHEMBL3645168 0.63 CREBBP (0.52) CREBBPEP300MEN1KMT2AICAM1

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