SCHEMBL7105449

SCHEMBL7105449

COC(=O)[C@H](Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)NC(=O)[C@H]1CC[C@@](C)(C(=O)O)C1(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 2/20 0.45
CCR2 P41597 7/20 0.44
CCR5 P51681 1/20 0.43
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
LNPEP Q9UIQ6 1/20 0.40
NOS2 P35228 1/20 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
SCHEMBL7105446 1.00 MEN1 (0.46) MEN1KMT2ANPSR1KDM4ECCR2
SCHEMBL7098080 0.93 FPR2 (0.46) MEN1KMT2ANPSR1KDM4ECCR2
SCHEMBL7098083 0.93 FPR2 (0.46) MEN1KMT2ANPSR1KDM4ECCR2
SCHEMBL7098706 0.88 MEN1 (0.45) MEN1KMT2ANPSR1PKM
SCHEMBL7098708 0.88 MEN1 (0.45) MEN1KMT2ANPSR1PKM
SCHEMBL7098692 0.87 ITGB1 (0.47) MEN1KMT2ANPSR1
SCHEMBL7098694 0.87 ITGB1 (0.47) MEN1KMT2ANPSR1
SCHEMBL7105450 0.86 ITGB1 (0.54)
SCHEMBL7102026 0.86 ITGB1 (0.54)
SCHEMBL7098043 0.84 ITGB1 (0.51) MEN1KMT2ANPSR1NOS2

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