SCHEMBL6909942

SCHEMBL6909942

CC(C)OC(=O)N(C(=O)[C@@H](N)C(C)C)C(c1ccc(C#N)cc1)C(C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.34
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP3 P08254 2/20 0.32
MMP7 P09237 2/20 0.32
MMP9 P14780 2/20 0.32
MMP13 P45452 2/20 0.32
F2R P25116 1/20 0.32
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TRPA1 O75762 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL6912541 0.87 ALOX5 (0.35)
SCHEMBL6910367 0.85 MEN1 (0.36)
SCHEMBL5970175 0.85 MEN1 (0.36)
SCHEMBL6905748 0.85 MEN1 (0.36)
SCHEMBL6910851 0.84 AKR1C3 (0.38) MAPTL3MBTL1TSHR
SCHEMBL7473573 0.78 HTT (0.44) DPP4MMP2MMP3F2RCHRNB2
SCHEMBL7470788 0.78 HTT (0.44) DPP4MMP2MMP3F2RCHRNB2
SCHEMBL6904706 0.78 HTT (0.44) DPP4MMP2MMP3F2RCHRNB2
SCHEMBL6910037 0.70 ALOX5 (0.45) GAATSHR
SCHEMBL6913172 0.66 KMT2A (0.44) TSHR

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
EP-1028125-B1 Dipeptide compounds having fungicidal activity and their agronomic use ISAGRO RICERCA SRL (IT) 2004-01-28 EP claimed