SCHEMBL9303530

SCHEMBL9303530

C[C@H](Cc1nc(C(=O)O)co1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.39
ACE P12821 1/20 0.39
C3AR1 Q16581 2/20 0.39
MAPT P10636 1/20 0.38
CTSS P25774 5/20 0.38
CTSK P43235 4/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
XBP1 P17861 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
SCHEMBL5013649 0.84 PCSK9 (0.47) ATMC3AR1CTSSCTSKCTSL
SCHEMBL5014055 0.82 CTSK (0.43) ATMACEMAPTCTSSCTSK
SCHEMBL3586130 0.79 KDM4A (0.40) MEN1KMT2ANPSR1LMNAHTT
SCHEMBL1196722 0.78 ACE (0.45) ACEC3AR1CTSSCTSKCTSL
SCHEMBL800492 0.78 KMT2A (0.49) ATMC3AR1MAPTALDH1A1MEN1
SCHEMBL18764998 0.77 HTT (0.50) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL18681306 0.76 CA1 (0.40) ATMMAPTCTSSCTSKCTSL
SCHEMBL800480 0.76 C3AR1 (0.49) ATMC3AR1MAPTALDH1A1MEN1
SCHEMBL5014051 0.75 ALDH1A1 (0.58) ATMACEC3AR1MAPTCTSS
SCHEMBL15214453 0.75 C3AR1 (0.43) ATMC3AR1MAPTCTSSCTSK

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