SCHEMBL4308378

SCHEMBL4308378

O=C(OCc1ccccc1)c1cc(COC2CCCCO2)cc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.49
EP300 Q09472 1/20 0.49
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
BCHE P06276 1/20 0.41
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2529947 0.85 CREBBP (0.53) CREBBPEP300ALDH1A1RAB9ANPC1
SCHEMBL4312331 0.84 CREBBP (0.52) CREBBPEP300KMT2AMEN1ALDH1A1
SCHEMBL4308381 0.83 ALDH1A1 (0.47) CREBBPEP300KMT2ATDP1MEN1
SCHEMBL4309447 0.82 CREBBP (0.59) CREBBPEP300KMT2AMEN1ALDH1A1
SCHEMBL4184332 0.82 KDM4C (0.47) CREBBPEP300KMT2AMEN1ICAM1
SCHEMBL4505041 0.82 MEN1 (0.54) CREBBPEP300KMT2AMEN1ALDH1A1
SCHEMBL11258174 0.81 KDM4C (0.46) CREBBPEP300KMT2AMEN1ALDH1A1
SCHEMBL4311026 0.81 CREBBP (0.47) CREBBPEP300KMT2AMEN1ALDH1A1
SCHEMBL4315290 0.80 CREBBP (0.58) CREBBPEP300KMT2AMEN1ALDH1A1
SCHEMBL4321064 0.80 CREBBP (0.46) CREBBPEP300KMT2AMEN1ALDH1A1

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