SCHEMBL9059863

SCHEMBL9059863

NC(CS)C(=O)NCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
PTGS1 P23219 1/20 0.44
SLC7A11 Q9UPY5 1/20 0.44
MMP2 P08253 1/20 0.44
FNTA P49354 3/20 0.40
FNTB P49356 3/20 0.40
PGGT1B P53609 1/20 0.40
DPP7 Q9UHL4 2/20 0.40
RRM1 P23921 1/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35

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
SCHEMBL15862124 1.00 MEN1 (0.52) MEN1USP2ALDH1A1MAPTKMT2A
SCHEMBL9059858 1.00 MEN1 (0.52) MEN1USP2ALDH1A1MAPTKMT2A
SCHEMBL928798 0.84 PTGS1 (0.46) PTGS1SLC7A11MMP2FNTAFNTB
SCHEMBL931596 0.84 PTGS1 (0.46) PTGS1SLC7A11MMP2FNTAFNTB
SCHEMBL928972 0.84 PTGS1 (0.46) PTGS1SLC7A11MMP2FNTAFNTB
SCHEMBL18807791 0.84 FNTA (0.48) ALDH1A1PTGS1SLC7A11MMP2FNTA
SCHEMBL19385712 0.83 MMP2 (0.47) PTGS1SLC7A11MMP2FNTAFNTB
SCHEMBL12143787 0.82 USP2 (0.56) MEN1USP2ALDH1A1MAPTKMT2A
SCHEMBL930618 0.81 DPP7 (0.47) ALDH1A1PTGS1SLC7A11MMP2FNTA
SCHEMBL22767411 0.81 DPP7 (0.52) USP2PTGS1SLC7A11MMP2FNTA

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-8157448-A None JP disclosed
JP-H08157448-A 2-AMINO-3-MERCAPTOPROPIONAMIDE DERIVATIVE OR ITS SALT, AND HAIR-TREATING AGENT COMPOSITION CONTAINING THE SAME KAO CORP 1996-06-18 JP disclosed