SCHEMBL5263495

SCHEMBL5263495

CCO/C=C(/C(=O)OCC)C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MAPT P10636 4/20 0.58
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
GAA P10253 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 2/20 0.47
HSP90AA1 P07900 1/20 0.47
HPGD P15428 1/20 0.47
DHODH Q02127 2/20 0.46
LMNA P02545 2/20 0.46
PLIN1 O60240 1/20 0.46
POLB P06746 1/20 0.46
PLIN5 Q00G26 1/20 0.46
ABHD5 Q8WTS1 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
CNR2 P34972 2/20 0.44
NR1H4 Q96RI1 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43

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
SCHEMBL995357 1.00 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL995358 1.00 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5286421 0.88 DHODH (0.51) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL5286417 0.88 DHODH (0.51) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL14581582 0.88 DHODH (0.51) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL2901221 0.85 CES2 (0.47) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL16050362 0.85 MAPT (0.63) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL2901225 0.85 CES2 (0.47) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL9280536 0.85 MAPT (0.63) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL10359660 0.84 CES2 (0.50) ALDH1A1MAPTMEN1KMT2AGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101878031-A The inhibitors of kinases that is used for the treatment of myeloproliferative disease and other proliferative diseases DECIPHERA PHARMACEUTICALS LLC 2010-11-03 CN disclosed
EP-1043998-B1 USE OF PYRAZOLO [3,4-b] PYRIDINE AS CYCLIN DEPENDANT KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-03-07 EP disclosed
US-6107305-A Use of pyrazolo [3,4-b] pyridine as cyclin dependent kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-22 US disclosed