SCHEMBL8358119

SCHEMBL8358119

NCCCC[C@H](N)C(=O)Oc1cc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ DPP7 Q9UHL4 2/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ ARF6 P62330 2/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ SSTR5 P35346 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1822131 0.77 KDM4E (0.49) KDM4EHSD17B10ALDH1A1GAAMAPK1
SCHEMBL6470774 0.75 FLT3 (0.47) KDM4EHSD17B10ALDH1A1GAAMAPK1
SCHEMBL7775127 0.74 GSR (0.50) DPP7DPP8DPP9MMP2LTA4H
SCHEMBL7775125 0.74 GSR (0.50) DPP7DPP8DPP9MMP2LTA4H
SCHEMBL29875229 0.74 KDM4E (0.51) KDM4EHSD17B10ALDH1A1MAPK1DRD2
SCHEMBL1833251 0.73 KDM4E (0.55) KDM4EHSD17B10ALDH1A1GAAMAPK1
SCHEMBL29068747 0.73 KDM4E (0.50) KDM4EHSD17B10ALDH1A1GAAMAPK1
SCHEMBL3836490 0.72 FLT3 (0.50) KDM4EHSD17B10ALDH1A1GAAMAPK1
SCHEMBL9643351 0.70 GSR (0.46) DPP7DPP8DPP9MMP2ARF6
SCHEMBL6586200 0.70 KDM4E (0.50) KDM4EHSD17B10ALDH1A1GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11225794-A — — None — — JP disclosed
JP-H11225794-A STABILIZATION OF INDOXYL-AMINO ACID ESTER OR INDOXYL-PEPTIDE ESTER AND MEASUREMENT OF ENZYME ACTIVITY OF TRYPSIN AND REAGENT FOR MEASURING TRYPSIN ENZYME ACTIVITY KDK CORP 1999-08-24 — — JP disclosed
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