SCHEMBL7400540

SCHEMBL7400540

COC(=O)CC(OC(=O)[C@H](C)CS)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ENPEP Q07075 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
ACE P12821 1/20 0.32
FOLH1 Q04609 6/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS2 P35354 1/20 0.31
THPO P40225 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7400541 1.00 TSHR (0.36) TSHRHSD17B10ENPEPMMP1MMP2
SCHEMBL7397737 0.87 MMP1 (0.36) TSHRENPEPMMP1MMP2MMP3
SCHEMBL7397741 0.87 MMP1 (0.36) TSHRENPEPMMP1MMP2MMP3
Amantadine SCHEMBL7394976 0.83 THRB (0.35) TSHRTHRBNFKB1SMN1; SMN2
Amantadine SCHEMBL7400499 0.83 THRB (0.35) TSHRTHRBNFKB1SMN1; SMN2
Amantadine SCHEMBL7394973 0.83 THRB (0.35) TSHRTHRBNFKB1SMN1; SMN2
SCHEMBL7397937 0.81 ENPEP (0.38) ENPEP
SCHEMBL7397931 0.81 ENPEP (0.38) ENPEP
SCHEMBL7395065 0.80 HTT (0.35)
SCHEMBL7395064 0.80 HTT (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535042-B1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1995-03-29 EP claimed
US-5348978-A Angiotensin converting enzyme inhibitors FISONS PLC (GB) 1994-09-20 US claimed
EP-0535042-A1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS. FISONS PLC (GB) 1993-04-07 EP claimed
WO-1992000276-A2 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1992-01-09 WO claimed