SCHEMBL7538833

SCHEMBL7538833

COC(=O)[C@H](CCSC[C@H](N)C(=O)OC)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.43
FNTB P49356 4/20 0.43
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.40
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PSMB5 P28074 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7538841 1.00 FNTA (0.43) FNTAFNTBITGB2ICAM1ITGAL
SCHEMBL7538237 0.91 L3MBTL1 (0.44) ITGB2ICAM1ITGALL3MBTL1HPGD
SCHEMBL7538234 0.91 L3MBTL1 (0.44) ITGB2ICAM1ITGALL3MBTL1HPGD
SCHEMBL7539182 0.84 HPGD (0.47) L3MBTL1HPGDKMT2ATAS1R3TAS1R1
SCHEMBL7539183 0.84 HPGD (0.47) L3MBTL1HPGDKMT2ATAS1R3TAS1R1
SCHEMBL7546272 0.80 FNTA (0.53) FNTAFNTBKMT2AHTTPSMB5
SCHEMBL7546269 0.80 FNTA (0.53) FNTAFNTBKMT2AHTTPSMB5
SCHEMBL7544009 0.80 TAS1R3 (0.52) ITGB2ICAM1ITGALTAS1R3TAS1R1
SCHEMBL7539797 0.79 TAS1R3 (0.51) ITGB2ICAM1ITGALTAS1R3TAS1R1
SCHEMBL12889783 0.79 ITGA4 (0.45) ITGB2ICAM1ITGALHPGDTAS1R3

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
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed