SCHEMBL9717459

SCHEMBL9717459

CC(O)CN(CC(C)O)C(=O)c1ccc(C(N)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 4/20 0.49
PARP10 Q53GL7 4/20 0.44
ACR P10323 1/20 0.40
PARP4 Q9UKK3 2/20 0.40
PARP1 P09874 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP14 Q460N5 1/20 0.38
PARP16 Q8N5Y8 1/20 0.38
PARP11 Q9NR21 1/20 0.38
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
NOS1 P29475 1/20 0.38

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
SCHEMBL31614111 0.86 MLYCD (0.49) MLYCDPARP10PARP4PARP1CA1
SCHEMBL30491049 0.84 MLYCD (0.50) MLYCDACRALDH1A1HPGDMAPT
SCHEMBL9717441 0.83 PARP1 (0.46) MLYCDPARP10ACRPARP1HSD17B10
SCHEMBL8064720 0.83 MLYCD (0.46) MLYCDPARP10PARP4PARP1CA1
SCHEMBL5935460 0.81 HPGD (0.53) MLYCDACRALDH1A1HPGDMAPT
SCHEMBL30491048 0.79 MLYCD (0.54) MLYCDHSD17B10ALDH1A1MAPTTSHR
SCHEMBL1018549 0.77 HPGD (0.61) MLYCDPARP10ALDH1A1HPGDMAPT
SCHEMBL21185839 0.76 HPGD (0.50) MLYCDACRHSD17B10ALDH1A1HPGD
SCHEMBL4807813 0.76 MLYCD (0.40) MLYCDPARP10PARP4PARP1CA1
SCHEMBL5316538 0.75 PARP10 (0.45) MLYCDPARP10PARP4PARP1CA1

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
US-5086104-A Mixture of thermoplastic resin, elastomer and amide compound, excellent toughtness, heat resistance and durability POLYPLASTICS CO., LTD. (JP) 1992-02-04 US disclosed