SCHEMBL7186153

SCHEMBL7186153

CCOC(=O)CC[C@H](NC(=O)C=CC=Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.44
F2 P00734 4/20 0.44
KLK1 P06870 3/20 0.44
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TMPRSS15 P98073 6/20 0.39
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ACR P10323 1/20 0.37
F10 P00742 1/20 0.37
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7186155 1.00 PRSS1 (0.44) PRSS1F2KLK1TAS1R3TAS1R1
SCHEMBL7950003 0.82 L3MBTL1 (0.46) PRSS1F2KLK1L3MBTL1TMPRSS15
SCHEMBL7179292 0.81 L3MBTL1 (0.48) PRSS1F2KLK1L3MBTL1TMPRSS15
SCHEMBL7185839 0.81 KMT2A (0.49) PRSS1F2KLK1L3MBTL1TMPRSS15
SCHEMBL7185849 0.81 KMT2A (0.49) PRSS1F2KLK1L3MBTL1TMPRSS15
Butane SCHEMBL3234863 0.78 PRSS1 (0.53) PRSS1TAS1R3TAS1R1TMPRSS15
SCHEMBL3243407 0.77 PRSS1 (0.54) PRSS1F2KLK1TMPRSS15KMT2A
SCHEMBL7311814 0.77 TMPRSS15 (0.54) PRSS1TMPRSS15
SCHEMBL7311831 0.77 TMPRSS15 (0.54) PRSS1TMPRSS15
SCHEMBL3245015 0.77 PRSS1 (0.53) PRSS1F2KLK1TMPRSS15KMT2A

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-6583177-B2 Amidinophenol derivatives as leukotriene B4 (LTB4)antagonists, phospholipase A2 inhibitors, and trypsin inhibitors. ONO PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US claimed