SCHEMBL28228231

SCHEMBL28228231

O=C(O)C1CCC(=O)N1N1C(=O)CCC1C(=O)O.[NaH].[NaH]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.45
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MME P08473 2/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA5 P08648 1/20 0.31
MAPT P10636 1/20 0.31
P2RX7 Q99572 1/20 0.30

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
SCHEMBL2345094 0.77 ACE (0.45) ACEMEN1KMT2AMMP2MMP9
SCHEMBL2345097 0.77 ACE (0.45) ACEMEN1KMT2AMMP2MMP9
SCHEMBL8213582 0.77 ACE (0.53) ACEMEN1KMT2AITGB1ITGA5
SCHEMBL29675254 0.77 ACE (0.37) ACEMME
SCHEMBL23211224 0.76 ACE (0.44) ACEMEN1KMT2AMMP2MMP9
SCHEMBL18832362 0.76 ACE (0.44) ACEMEN1KMT2AMMP2MMP9
SCHEMBL9630278 0.76 ACE (0.44) ACEMEN1KMT2AMMP2MMP9
SCHEMBL11707855 0.76 ACE (0.44) ACEMEN1KMT2AMMP2MMP9
SCHEMBL1587617 0.76 ACE (0.47) ACEP2RX7
SCHEMBL2805870 0.76 ACE (0.56) ACEMEN1KMT2AMMP2MMP9

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
CN-104423115-B Display device 元太科技工业股份有限公司 2018-07-27 CN disclosed