SCHEMBL5393459

SCHEMBL5393459

O=C(N[C@H](CCC1CCCCC1)C(=S)NN1CCOCC1)[C@@H]1CSCN1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
BMP1 P13497 1/20 0.32
CTSS P25774 1/20 0.32
PSMB8 P28062 2/20 0.31
PSMB5 P28074 1/20 0.31
PSMB10 P40306 1/20 0.31
PSMB2 P49721 1/20 0.31
MAPK14 Q16539 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
PSMB9 P28065 1/20 0.30
ENPP2 Q13822 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
SCHEMBL5113614 0.82 ENPP2 (0.42) ALDH1A1ENPP2
SCHEMBL5351761 0.79 MC4R (0.33) ALDH1A1
SCHEMBL5393464 0.79 CACNA1B (0.35) CTSS
SCHEMBL5756829 0.76 DRD2 (0.42) ALDH1A1MAPK14
SCHEMBL4835617 0.74 CYP2C19 (0.45) ALDH1A1
Hydrochloric Acid SCHEMBL5141138 0.73 CYP2C19 (0.45) ALDH1A1
SCHEMBL7042545 0.73 NPFFR2 (0.44)
SCHEMBL5117679 0.73 CACNA1G (0.42) ALDH1A1
Hydrochloric Acid SCHEMBL5144608 0.73 NPFFR2 (0.43)
SCHEMBL4845539 0.72 ALDH1A1 (0.46) ALDH1A1CTSSPSMB8PSMB5PSMB10

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-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US claimed