SCHEMBL4308381

SCHEMBL4308381

O=C(O)c1cc(COC2CCCCO2)cc(C(=O)OCc2ccccc2)c1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CREBBP Q92793 2/20 0.43
EP300 Q09472 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
CYP3A4 P08684 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4308378 0.83 CREBBP (0.49) ALDH1A1CREBBPEP300MEN1KMT2A
SCHEMBL4308386 0.80 CREBBP (0.42) ALDH1A1CREBBPEP300MEN1KMT2A
SCHEMBL4184332 0.77 KDM4C (0.47) CREBBPEP300MEN1KMT2AICAM1
SCHEMBL4314833 0.76 ALDH1A1 (0.59) ALDH1A1KMT2ATDP1CYP3A4L3MBTL1
SCHEMBL4311027 0.76 CREBBP (0.41) ALDH1A1CREBBPEP300MEN1KMT2A
SCHEMBL11258174 0.76 KDM4C (0.46) ALDH1A1CREBBPEP300MEN1KMT2A
SCHEMBL4505041 0.74 MEN1 (0.54) ALDH1A1CREBBPEP300MEN1KMT2A
SCHEMBL11175135 0.74 MEN1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL4683757 0.74 MEN1 (0.48) CREBBPEP300MEN1KMT2AICAM1
SCHEMBL4322060 0.74 MEN1 (0.50) ALDH1A1CREBBPEP300MEN1KMT2A

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