SCHEMBL27800181

SCHEMBL27800181

CCC(=O)N[C@@H](CSC(c1ccccc1)c1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.46
▸ SLC6A3 Q01959 1/20 0.45
▸ MME P08473 1/20 0.43
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ MDM4 O15151 1/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGAV P06756 1/20 0.37
▸ ITGA5 P08648 1/20 0.37
▸ PSMB5 P28074 1/20 0.37

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
SCHEMBL27800184 1.00 ACE (0.46) ACESLC6A3MMELMNAPOLB
SCHEMBL11871596 0.82 PTGS1 (0.59) ACE
SCHEMBL11871578 0.82 PTGS1 (0.59) ACE
SCHEMBL27778950 0.80 GLO1 (0.52) ACE
SCHEMBL27778952 0.80 GLO1 (0.52) ACE
SCHEMBL10577230 0.75 ATM (0.56) MME
SCHEMBL2127821 0.71 PTGS1 (0.58) —
SCHEMBL25148526 0.71 CTSS (0.53) ACEMMEPSMB5
SCHEMBL11550552 0.70 ACE (0.61) ACESLC6A3MTNR1AMTNR1B
SCHEMBL7799262 0.69 POLB (0.52) POLBMTNR1AMTNR1BITGB3

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-101701239-A Method for preparing glutathione by using hydantoinase method NANJING UNIVERSITY OF TECHNOLOGY 2010-05-05 — — CN disclosed
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