SCHEMBL7435761

SCHEMBL7435761

CC(C)(C)OC(=O)C(S)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.50
ITGB7 P26010 2/20 0.50
ATM Q13315 1/20 0.48
MME P08473 3/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CTSS P25774 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
ACE P12821 2/20 0.44
KLK5 Q9Y337 1/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL9160311 0.83 ITGA4 (0.52) ITGA4ITGB7ATMPOLBMAPT
SCHEMBL7279136 0.81 PPARA (0.53) ITGA4ITGB7CTSSKLK5
SCHEMBL6288293 0.81 ITGA4 (0.51) ITGA4ITGB7ATMPOLBMAPT
SCHEMBL21601599 0.81 ITGA4 (0.51) ITGA4ITGB7ATMPOLBMAPT
SCHEMBL1595571 0.81 ITGA4 (0.51) ITGA4ITGB7ATMPOLBMAPT
SCHEMBL13108100 0.81 ITGA4 (0.51) ITGA4ITGB7ATMPOLBMAPT
SCHEMBL487423 0.81 ITGA4 (0.51) ITGA4ITGB7ATMPOLBMAPT
SCHEMBL4909735 0.81 ITGA4 (0.51) ITGA4ITGB7ATMPOLBMAPT
SCHEMBL1595565 0.81 ITGA4 (0.51) ITGA4ITGB7ATMPOLBMAPT
SCHEMBL30759366 0.81 ITGA4 (0.51) ITGA4ITGB7ATMPOLBMAPT

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
US-5312826-A Dicarboxylic acids with hypotensive agents and cardiovascular disorders TANABE SEIYAKU CO., LTD. (JP) 1994-05-17 US disclosed
EP-0519738-A1 Dicarboxylic acid derivatives and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1992-12-23 EP disclosed