SCHEMBL9347752

SCHEMBL9347752

CC(C)(C)OC(=O)C[C@H]1CC[C@@H](C(=O)O)N1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ACE P12821 2/20 0.40
GPR119 Q8TDV5 1/20 0.38
PLA2G10 O15496 1/20 0.38
PLA2G5 P39877 1/20 0.38
STS P08842 1/20 0.37
NR1H2 P55055 1/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.37
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9347804 0.86 NR1H2 (0.49) KMT2AL3MBTL1NR1H2KDM4ECYP3A4
SCHEMBL6739313 0.85 KMT2A (0.48) KMT2AL3MBTL1ACENR1H2KDM4E
SCHEMBL6743027 0.83 KMT2A (0.48) KMT2AL3MBTL1ACEGPR119STS
SCHEMBL9347397 0.82 KMT2A (0.52) KMT2AL3MBTL1ACEGPR119STS
SCHEMBL12480874 0.77 GRM6 (0.43) KMT2AACEMEN1
SCHEMBL9973492 0.77 KMT2A (0.47) KMT2AL3MBTL1GPR119STSKDM4E
SCHEMBL4710677 0.77 GRM6 (0.49) KMT2AL3MBTL1ACEMEN1ALDH1A1
SCHEMBL4710674 0.77 GRM6 (0.49) KMT2AL3MBTL1ACEMEN1ALDH1A1
SCHEMBL29142190 0.77 GRM6 (0.49) KMT2AL3MBTL1ACEMEN1ALDH1A1
SCHEMBL27089262 0.77 GRM6 (0.49) KMT2AL3MBTL1ACEMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5342963-A Optically active pyrrolidine derivative AJINOMOTO CO., INC. (JP) 1994-08-30 US disclosed
EP-0513398-A1 INTERMEDIATE FOR SYNTHESIS OF CARBAPENEM AND PRODUCTION OF SAID INTERMEDIATE Ajinomoto Co., Inc. (JP) 1992-11-19 EP disclosed