SCHEMBL13709116

SCHEMBL13709116

COC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
HPGD P15428 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR119 Q8TDV5 3/20 0.39
RECQL P46063 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
NR1H2 P55055 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
PDE4B Q07343 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL19331724 0.92 HPGD (0.43) EPHX1HPGDALDH1A1MEN1MAPT
SCHEMBL15025983 0.87 GAA (0.40) EPHX1HPGDALDH1A1MEN1MAPT
SCHEMBL19342170 0.86 HPGD (0.43) EPHX1HPGDALDH1A1MEN1MAPT
SCHEMBL13871751 0.86 EPHX1 (0.44) EPHX1HPGDALDH1A1MEN1MAPT
SCHEMBL21748946 0.85 HPGD (0.46) EPHX1HPGDALDH1A1MEN1MAPT
SCHEMBL12492477 0.85 HPGD (0.46) EPHX1HPGDALDH1A1MEN1MAPT
SCHEMBL12493100 0.85 HPGD (0.46) EPHX1HPGDALDH1A1MEN1MAPT
SCHEMBL25568092 0.85 HPGD (0.46) EPHX1HPGDALDH1A1MEN1MAPT
SCHEMBL3893868 0.84 EPHX1 (0.44) EPHX1HPGDALDH1A1MEN1MAPT
SCHEMBL9938535 0.84 PDE4B (0.43) EPHX1HPGDALDH1A1MEN1MAPT

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
EP-1699797-B1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-09-23 EP disclosed