SCHEMBL7102676

SCHEMBL7102676

CC1(C)[C@@H](C(=O)N[C@@H](Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C(=O)O)CC[C@@]1(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA2 P00918 1/20 0.44
ITGA4 P13612 13/20 0.43
ITGB1 P05556 12/20 0.43
FOLH1 Q04609 1/20 0.43

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
SCHEMBL7102672 1.00 MEN1 (0.47) MEN1KMT2ANPSR1CA2ITGA4
SCHEMBL7100747 0.92 ITGA4 (0.51) MEN1KMT2ANPSR1ITGA4ITGB1
SCHEMBL7100744 0.92 ITGA4 (0.51) MEN1KMT2ANPSR1ITGA4ITGB1
SCHEMBL7099187 0.91 ITGA4 (0.49) MEN1KMT2ANPSR1ITGA4ITGB1
SCHEMBL7099189 0.91 ITGA4 (0.49) MEN1KMT2ANPSR1ITGA4ITGB1
SCHEMBL7098083 0.90 FPR2 (0.46) MEN1KMT2ANPSR1ITGA4ITGB1
SCHEMBL7098080 0.90 FPR2 (0.46) MEN1KMT2ANPSR1ITGA4ITGB1
SCHEMBL7098218 0.90 ITGB1 (0.47) MEN1KMT2ANPSR1ITGA4ITGB1
SCHEMBL7098216 0.90 ITGB1 (0.47) MEN1KMT2ANPSR1ITGA4ITGB1
SCHEMBL7102565 0.88 ITGB1 (0.48) MEN1KMT2ANPSR1ITGA4ITGB1

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