SCHEMBL30457762

SCHEMBL30457762

N#Cc1cn(CCC(=O)O)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.46
EGLN3 Q9H6Z9 2/20 0.39
GAA P10253 1/20 0.37
FFAR1 O14842 2/20 0.37
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
CTSB P07858 1/20 0.35
MAPT P10636 1/20 0.34
KMO O15229 2/20 0.33
MMP2 P08253 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL4295418 0.83 STAT3 (0.36) GAAALDH1A1CTSLCTSSCTSK
SCHEMBL3707313 0.69 KMT2A (0.46) ALDH1A1LMNAMAPTPKM
SCHEMBL15057938 0.69 NR1H4 (0.70) NR1H4CASP3SENP8SENP7SENP6
SCHEMBL564934 0.64 KDM4E (0.39) ALDH1A1CTSSCTSKHDAC3HDAC4
SCHEMBL13209312 0.62 FFAR1 (0.46) NR1H4FFAR1
SCHEMBL9940194 0.62 EP300 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25109025 0.62 CYP19A1 (0.32)
SCHEMBL31635254 0.61 L3MBTL1 (0.61) HDAC1
SCHEMBL24427231 0.60
SCHEMBL24340637 0.60 NR1H4 (0.39) NR1H4GAAFFAR1ALDH1A1HDAC3

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-110475785-B Peptide compound, method for producing same, composition for screening, and method for selecting peptide compound 富士胶片株式会社 2023-06-13 CN disclosed