SCHEMBL30128682

SCHEMBL30128682

CC(C)[C@@H](NC(=O)[C@@H](N)CS)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.51
PTGS1 P23219 1/20 0.48
SLC7A11 Q9UPY5 1/20 0.48
FNTA P49354 7/20 0.45
FNTB P49356 7/20 0.45
ACE P12821 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PGGT1B P53609 1/20 0.40
ENPEP Q07075 2/20 0.40

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
SCHEMBL6791475 1.00 MME (0.51) MMEPTGS1SLC7A11FNTAFNTB
SCHEMBL6791478 1.00 MME (0.51) MMEPTGS1SLC7A11FNTAFNTB
SCHEMBL30496770 0.96 MME (0.49) MMEPTGS1SLC7A11FNTAFNTB
SCHEMBL29793176 0.92 MME (0.46) MMEPTGS1SLC7A11FNTAFNTB
SCHEMBL8002689 0.92 ACE (0.47) MMEPTGS1SLC7A11FNTAFNTB
SCHEMBL11324778 0.87 MME (0.52) MMEPTGS1SLC7A11FNTAFNTB
SCHEMBL11324786 0.87 MME (0.52) MMEPTGS1SLC7A11FNTAFNTB
SCHEMBL8528255 0.87 MME (0.52) MMEPTGS1SLC7A11FNTAFNTB
SCHEMBL8528253 0.87 MME (0.52) MMEPTGS1SLC7A11FNTAFNTB
SCHEMBL29615053 0.86 MME (0.46) MMEFNTAFNTBSMN1; SMN2ALDH1A1

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
WO-2025101633-A1 FUNGAL EXPRESSION SYSTEMS FOR LOW OXYGEN CONDITIONS BP CORPORATION NORTH AMERICA INC. (US) 2025-05-15 WO disclosed
US-20220395521-A1 MICROBIOME REGULATORS AND RELATED USES THEREOF KALEIDO BIOSCIENCES, INC. (US) 2022-12-15 US disclosed