SCHEMBL7539183

SCHEMBL7539183

COC(=O)[C@H](CCSC[C@@H](NC(=O)c1c(OC)cccc1OC)C(=O)OC)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
ITGB1 P05556 4/20 0.43
ITGA4 P13612 4/20 0.43
ITGB7 P26010 3/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL7539182 1.00 HPGD (0.47) HPGDTAS1R3TAS1R1ITGB1ITGA4
SCHEMBL7538234 0.93 L3MBTL1 (0.44) HPGDTAS1R3TAS1R1HTTL3MBTL1
SCHEMBL7538237 0.93 L3MBTL1 (0.44) HPGDTAS1R3TAS1R1HTTL3MBTL1
SCHEMBL7545004 0.88 ITGA4 (0.47) TAS1R3TAS1R1ITGB1ITGA4ITGB7
SCHEMBL7545015 0.88 ITGA4 (0.47) TAS1R3TAS1R1ITGB1ITGA4ITGB7
SCHEMBL7538833 0.84 FNTA (0.43) HPGDTAS1R3TAS1R1HTTL3MBTL1
SCHEMBL7538841 0.84 FNTA (0.43) HPGDTAS1R3TAS1R1HTTL3MBTL1
SCHEMBL7542399 0.83 ITGA4 (0.50) ITGB1ITGA4ITGB7
SCHEMBL7542393 0.83 ITGA4 (0.50) ITGB1ITGA4ITGB7
SCHEMBL7546272 0.83 FNTA (0.53) HTTKMT2A

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