SCHEMBL7103675

SCHEMBL7103675

CC1(C(=O)O)CCC(C(=O)N[C@@H](Cc2ccc(NC(=O)c3ccccc3F)cc2)C(=O)O)C1(C)C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ITGA4 P13612 9/20 0.44
ITGB1 P05556 8/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL7103678 1.00 MEN1 (0.46) MEN1KMT2ANPSR1ITGA4ITGB1
SCHEMBL7102759 0.90 ITGA4 (0.56) MEN1KMT2ANPSR1ITGA4ITGB1
SCHEMBL7102755 0.90 ITGA4 (0.56) MEN1KMT2ANPSR1ITGA4ITGB1
SCHEMBL7102696 0.90 ITGA4 (0.47) MEN1KMT2ANPSR1ITGA4ITGB1
SCHEMBL7098697 0.90 NPSR1 (0.52) MEN1KMT2ANPSR1ITGA4ITGB1
SCHEMBL7098693 0.90 NPSR1 (0.52) MEN1KMT2ANPSR1ITGA4ITGB1
SCHEMBL7102700 0.90 ITGA4 (0.47) MEN1KMT2ANPSR1ITGA4ITGB1
SCHEMBL7144279 0.90 NPSR1 (0.46) MEN1KMT2ANPSR1ITGA4ITGB1
SCHEMBL7105774 0.90 NPSR1 (0.46) MEN1KMT2ANPSR1ITGA4ITGB1
SCHEMBL7101131 0.90 ITGB1 (0.50) ITGA4ITGB1

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