SCHEMBL7103726

SCHEMBL7103726

CC1(C(=O)O)CCC(C(=O)N[C@@H](Cc2ccc(NC(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc2)C(=O)O)C1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.49
ITGA4 P13612 8/20 0.49
FPR2 P25090 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
PSMB11 A5LHX3 5/20 0.40
PSMA7 O14818 5/20 0.40
PSMB1 P20618 5/20 0.40
PSMA1 P25786 5/20 0.40
PSMA2 P25787 5/20 0.40
PSMA3 P25788 5/20 0.40
PSMA4 P25789 5/20 0.40
PSMB8 P28062 5/20 0.40
PSMB9 P28065 5/20 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
SCHEMBL7103727 1.00 ITGB1 (0.49) ITGB1ITGA4FPR2MEN1KMT2A
SCHEMBL7103736 0.94 ITGB1 (0.43) ITGB1ITGA4MEN1KMT2ANPSR1
SCHEMBL7103738 0.94 ITGB1 (0.43) ITGB1ITGA4MEN1KMT2ANPSR1
SCHEMBL7098702 0.91 ITGB1 (0.59) ITGB1ITGA4FPR2MEN1KMT2A
SCHEMBL7517017 0.91 ITGB1 (0.59) ITGB1ITGA4FPR2MEN1KMT2A
SCHEMBL7098699 0.91 ITGB1 (0.59) ITGB1ITGA4FPR2MEN1KMT2A
SCHEMBL7099596 0.90 ITGA4 (0.47) ITGB1ITGA4FPR2MEN1KMT2A
SCHEMBL7099599 0.90 ITGA4 (0.47) ITGB1ITGA4FPR2MEN1KMT2A
SCHEMBL7098043 0.85 ITGB1 (0.51) ITGB1ITGA4MEN1KMT2ANPSR1
SCHEMBL7098046 0.85 ITGB1 (0.51) ITGB1ITGA4MEN1KMT2ANPSR1

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