SCHEMBL7098708

SCHEMBL7098708

COC(=O)[C@H](Cc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1)NC(=O)[C@H]1CC[C@@](C)(C(=O)O)C1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
ITGB1 P05556 6/20 0.41
ITGA4 P13612 6/20 0.41
PSMB11 A5LHX3 3/20 0.40
PSMA7 O14818 3/20 0.40
PSMB1 P20618 3/20 0.40
PSMA1 P25786 3/20 0.40
PSMA2 P25787 3/20 0.40
PSMA3 P25788 3/20 0.40
PSMA4 P25789 3/20 0.40
PSMB8 P28062 3/20 0.40
PSMB9 P28065 3/20 0.40
PSMA5 P28066 3/20 0.40
PSMB4 P28070 3/20 0.40
PSMB6 P28072 3/20 0.40
PSMB5 P28074 3/20 0.40

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
SCHEMBL7098706 1.00 MEN1 (0.45) MEN1KMT2ANPSR1TAS1R3TAS1R1
SCHEMBL7102565 0.93 ITGB1 (0.48) MEN1KMT2ANPSR1ITGB1ITGA4
SCHEMBL7102563 0.93 ITGB1 (0.48) MEN1KMT2ANPSR1ITGB1ITGA4
SCHEMBL7098016 0.90 TAS1R3 (0.39) MEN1KMT2ANPSR1TAS1R3TAS1R1
SCHEMBL7098020 0.90 TAS1R3 (0.39) MEN1KMT2ANPSR1TAS1R3TAS1R1
SCHEMBL7098043 0.90 ITGB1 (0.51) MEN1KMT2ANPSR1ITGB1ITGA4
SCHEMBL7098046 0.90 ITGB1 (0.51) MEN1KMT2ANPSR1ITGB1ITGA4
SCHEMBL7098692 0.88 ITGB1 (0.47) MEN1KMT2ANPSR1ITGB1ITGA4
SCHEMBL7098694 0.88 ITGB1 (0.47) MEN1KMT2ANPSR1ITGB1ITGA4
SCHEMBL7105446 0.88 MEN1 (0.46) MEN1KMT2ANPSR1PKM

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-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP claimed