SCHEMBL9347397

SCHEMBL9347397

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ACE P12821 2/20 0.43
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
STS P08842 1/20 0.40
FKBP1A P62942 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
GRM6 O15303 1/20 0.39

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
SCHEMBL10419826 0.90 KMT2A (0.53) KMT2AL3MBTL1ACECYP3A4KDM4E
SCHEMBL9356309 0.89 KMT2A (0.56) KMT2AL3MBTL1CYP3A4KDM4EALDH1A1
SCHEMBL9352224 0.89 KMT2A (0.56) KMT2AL3MBTL1CYP3A4KDM4EALDH1A1
SCHEMBL6743027 0.85 KMT2A (0.48) KMT2AL3MBTL1ACECYP3A4KDM4E
SCHEMBL23043376 0.85 FKBP1A (0.53) KMT2ACYP3A4KDM4EALDH1A1FKBP1A
SCHEMBL9347282 0.85 FKBP1A (0.53) KMT2ACYP3A4KDM4EALDH1A1FKBP1A
SCHEMBL4710677 0.84 GRM6 (0.49) KMT2AL3MBTL1ACEALDH1A1GRM6
SCHEMBL4710674 0.84 GRM6 (0.49) KMT2AL3MBTL1ACEALDH1A1GRM6
SCHEMBL29142190 0.84 GRM6 (0.49) KMT2AL3MBTL1ACEALDH1A1GRM6
SCHEMBL27089432 0.84 GRM6 (0.49) KMT2AL3MBTL1ACEALDH1A1GRM6

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