SCHEMBL3354730

SCHEMBL3354730

CCC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.67
SLC1A2 P43004 3/20 0.67
SLC1A1 P43005 3/20 0.67
KCNA5 P22460 1/20 0.48
ADAM17 P78536 1/20 0.48
SLC6A9 P48067 1/20 0.47
TSHR P16473 1/20 0.46
ADAMTS4 O75173 1/20 0.46
MMP13 P45452 1/20 0.46
KEAP1 Q14145 1/20 0.45
HCRTR1 O43613 1/20 0.45
CASP1 P29466 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
CASP7 P55210 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MME P08473 1/20 0.45
ACE P12821 1/20 0.45

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
SCHEMBL3354732 1.00 SLC1A3 (0.67) SLC1A3SLC1A2SLC1A1KCNA5ADAM17
SCHEMBL7141895 0.83 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1KCNA5ADAM17
SCHEMBL7141899 0.83 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1KCNA5ADAM17
SCHEMBL4140520 0.83 EDNRA (0.50) SLC1A3SLC1A2SLC1A1
SCHEMBL4140524 0.83 EDNRA (0.50) SLC1A3SLC1A2SLC1A1
SCHEMBL5587391 0.83 EDNRA (0.50) SLC1A3SLC1A2SLC1A1
SCHEMBL7137507 0.83 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1KCNA5ADAM17
SCHEMBL7137510 0.83 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1KCNA5ADAM17
SCHEMBL5587395 0.82 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1ADAMTS4MMP13
SCHEMBL20025843 0.82 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1KCNA5SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783489-A1 ALDEHYDE DERIVATIVES AS UPSTEINE PROTEASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 1997-07-16 EP claimed
WO-1996010014-A1 ALDEHYDE DERIVATIVES AS UPSTEINE PROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-04 WO claimed
WO-2010033658-A2 CATHEPSIN L PROTEOLYTICALLY PROCESSES HISTONE H3 DURING MOUSE EMBROYONIC STEM CELL DIFFERENTIATION THE ROCKEFELLER UNIVERSITY (US) 2010-03-25 WO disclosed
EP-0783489-A1 ALDEHYDE DERIVATIVES AS UPSTEINE PROTEASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 1997-07-16 EP disclosed
WO-1996010014-A1 ALDEHYDE DERIVATIVES AS UPSTEINE PROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-04 WO disclosed