SCHEMBL28546111

SCHEMBL28546111

CC[C@H](C)[C@H](NC(=O)CC(C)O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.54
▸ ACE P12821 7/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ XIAP P98170 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ F2 P00734 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ LTA4H P09960 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PEPD P12955 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ACE2 Q9BYF1 1/20 0.49

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
SCHEMBL28546112 1.00 REN (0.54) RENACEKMT2AL3MBTL1XIAP
SCHEMBL30051407 0.87 KMT2A (0.52) RENACEKMT2AL3MBTL1XIAP
SCHEMBL15251740 0.83 KMT2A (0.59) ACEKMT2AL3MBTL1LMNALTA4H
SCHEMBL15251739 0.83 KMT2A (0.59) ACEKMT2AL3MBTL1LMNALTA4H
SCHEMBL18018530 0.83 KMT2A (0.53) RENACEKMT2AL3MBTL1XIAP
SCHEMBL23260256 0.82 XIAP (0.55) RENACEKMT2AL3MBTL1XIAP
SCHEMBL31202564 0.82 XIAP (0.55) RENACEKMT2AL3MBTL1XIAP
SCHEMBL29615598 0.82 XIAP (0.55) RENACEKMT2AL3MBTL1XIAP
SCHEMBL31202557 0.82 XIAP (0.55) RENACEKMT2AL3MBTL1XIAP
SCHEMBL21246820 0.81 XIAP (0.63) RENACEKMT2AL3MBTL1XIAP

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-108017555-B Beta-hydroxybutyryl-amino acid compound and preparation method and application thereof 郑州海斯威生物技术有限公司 2021-03-26 — — CN disclosed
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