SCHEMBL3241202

SCHEMBL3241202

C=CC(C)C(O)[C@@H](C)N(OCc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPY5R Q15761 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.35
ALOX5 P09917 2/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PTGES O14684 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
SCHEMBL1711414 0.85 L3MBTL1 (0.50) ALDH1A1L3MBTL1
SCHEMBL1913624 0.76 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AALOX5
SCHEMBL15319101 0.75 MEN1 (0.39) ALDH1A1L3MBTL1MEN1KMT2AALOX5
SCHEMBL3209123 0.74 ALDH1A1 (0.43) ALDH1A1L3MBTL1MEN1KMT2ATSHR
SCHEMBL4973395 0.73 ALDH1A1 (0.42) ALDH1A1L3MBTL1MEN1KMT2ATSHR
SCHEMBL28343493 0.73 ALDH1A1 (0.46) ALDH1A1L3MBTL1MEN1KMT2ATSHR
SCHEMBL15319103 0.72 ALOX5 (0.41) ALDH1A1L3MBTL1MEN1KMT2AHPGD
SCHEMBL8900203 0.72 ALOX5 (0.45) ALDH1A1L3MBTL1MEN1KMT2AHPGD
SCHEMBL19633464 0.72 RCE1 (0.50) ALDH1A1MEN1KMT2ATSHRHPGD
SCHEMBL16631727 0.72 ALDH1A1 (0.40) ALDH1A1L3MBTL1MEN1KMT2A

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
EP-2262802-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2010-12-22 EP disclosed
WO-2010026124-A1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 WO disclosed
WO-2009109576-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2009-09-11 WO disclosed