SCHEMBL4309447

SCHEMBL4309447

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.59
EP300 Q09472 1/20 0.56
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
ALDH1A1 P00352 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
TACR1 P25103 1/20 0.36
APEX1 P27695 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34

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
SCHEMBL4315290 0.91 CREBBP (0.58) CREBBPEP300KMT2AMEN1ICAM1
SCHEMBL3645168 0.91 CREBBP (0.52) CREBBPEP300KMT2AMEN1ICAM1
SCHEMBL4505041 0.88 MEN1 (0.54) CREBBPEP300KMT2AMEN1ALDH1A1
SCHEMBL4311189 0.86 CREBBP (0.49) CREBBPEP300KMT2AMEN1ICAM1
SCHEMBL3811958 0.86 KMT2A (0.64) CREBBPEP300KMT2AMEN1ICAM1
SCHEMBL4312331 0.83 CREBBP (0.52) CREBBPEP300KMT2AMEN1ALDH1A1
SCHEMBL4321064 0.83 CREBBP (0.46) CREBBPEP300KMT2AMEN1ICAM1
SCHEMBL4308378 0.82 CREBBP (0.49) CREBBPEP300KMT2AMEN1ICAM1
SCHEMBL4721279 0.80 CREBBP (0.52) CREBBPEP300KMT2AMEN1ICAM1
SCHEMBL14281436 0.80 KMT2A (0.67) CREBBPEP300KMT2AMEN1KDM4C

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