SCHEMBL9304291

SCHEMBL9304291

C[C@@H](N)Cc1nc(C(=O)O)cs1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP13 P45452 2/20 0.47
DPP4 P27487 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PLA2G4A P47712 1/20 0.40
P2RY2 P41231 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ACHE P22303 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
SCHEMBL9304302 1.00 MMP1 (0.47) MMP1MMP2MMP9MMP13DPP4
SCHEMBL1246613 0.86 DPP4 (0.50) MMP1MMP2MMP9MMP13DPP4
SCHEMBL27000240 0.80 MMP1 (0.43) MMP1MMP2MMP9MMP13DPP4
SCHEMBL3597949 0.77 MMP1 (0.53) MMP1MMP2MMP9MMP13DPP4
SCHEMBL1244889 0.77 MMP1 (0.53) MMP1MMP2MMP9MMP13L3MBTL1
SCHEMBL29224276 0.77 MMP1 (0.47) MMP1MMP2MMP9MMP13DPP4
SCHEMBL27000058 0.75 MMP1 (0.46) MMP1MMP2MMP9MMP13DPP4
Hydrochloric Acid SCHEMBL23120712 0.75 MMP1 (0.51) MMP1MMP2MMP9MMP13DPP4
SCHEMBL2839000 0.74 MMP1 (0.54) MMP1MMP2MMP9MMP13L3MBTL1
SCHEMBL457576 0.74 MMP2 (0.54) MMP1MMP2MMP9MMP13L3MBTL1

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
US-5321036-A Treatment of diabetes, obesity and gastrointestinal disorders BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-14 US disclosed