SCHEMBL3632964

SCHEMBL3632964

COC(=O)CSC[C@H](N)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
SLC1A1 P43005 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
TLR2 O60603 6/20 0.34
TSHR P16473 3/20 0.34
FCER2 P06734 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32

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
Hydrochloric Acid SCHEMBL11196457 0.98 KIF11 (0.40) KIF11SLC1A1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL10770246 0.98 KIF11 (0.40) KIF11SLC1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16847765 0.86 KIF11 (0.39) KIF11TLR2TSHRHSD17B10
SCHEMBL3685147 0.85 SLC1A1 (0.46) KIF11SLC1A1
SCHEMBL3685144 0.85 SLC1A1 (0.46) KIF11SLC1A1
SCHEMBL22661903 0.85 BHMT (0.42) KIF11SLC1A1CYP1A2CYP2C9TLR2
Lysine SCHEMBL27653683 0.83 GSR (0.53) KIF11SLC1A1CYP1A2TLR2TSHR
SCHEMBL23129041 0.80 KIF11 (0.40) KIF11TLR2
SCHEMBL1709969 0.80 KIF11 (0.40) KIF11TLR2
SCHEMBL27653685 0.80 GSR (0.49) SLC1A1TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0144519-B1 2',4'-DIFLUORO-4-HYDROXY-(1,1'-DIPHENYL)-3-CARBOXYLIC DERIVATIVES OF N-ACETYLCYSTEINE AND OF S-CARBOXYMETHYLCYSTEINE HAVING ANTI-INFLAMMATORY AND MUCOLYTIC ACTIVITY, PROCESS FOR THEIR PREPARATION AND RELATED PHARMACEUTICAL COMPOSITIONS LABORATORI GUIDOTTI S.P.A. (IT) 1987-06-10 EP claimed
EP-0144519-A1 2',4'-Difluoro-4-hydroxy-(1,1'-diphenyl)-3-carboxylic derivatives of N-acetylcysteine and of S-carboxymethylcysteine having anti-inflammatory and mucolytic activity, process for their preparation and related pharmaceutical compositions LABORATORI GUIDOTTI S.P.A. (IT) 1985-06-19 EP claimed
EP-2155678-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC Neurosciences GmbH (DE) 2010-02-24 EP disclosed
WO-2008125570-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2008-10-23 WO disclosed