SCHEMBL7538237

SCHEMBL7538237

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.43
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
HTT P42858 1/20 0.42
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
PSMB5 P28074 1/20 0.41

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
SCHEMBL7538234 1.00 L3MBTL1 (0.44) L3MBTL1HPGDKMT2ATAS1R3TAS1R1
SCHEMBL7539183 0.93 HPGD (0.47) L3MBTL1HPGDKMT2ATAS1R3TAS1R1
SCHEMBL7539182 0.93 HPGD (0.47) L3MBTL1HPGDKMT2ATAS1R3TAS1R1
SCHEMBL7538833 0.91 FNTA (0.43) L3MBTL1HPGDKMT2ATAS1R3TAS1R1
SCHEMBL7538841 0.91 FNTA (0.43) L3MBTL1HPGDKMT2ATAS1R3TAS1R1
SCHEMBL7546269 0.89 FNTA (0.53) KMT2AHTTPSMB5
SCHEMBL7546272 0.89 FNTA (0.53) KMT2AHTTPSMB5
SCHEMBL7544009 0.84 TAS1R3 (0.52) TAS1R3TAS1R1ITGB2ICAM1ITGAL
SCHEMBL7542040 0.83 ITGB2 (0.53) ITGB2ICAM1ITGAL
SCHEMBL7539797 0.83 TAS1R3 (0.51) TAS1R3TAS1R1ITGB2ICAM1ITGAL

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