SCHEMBL5692128

SCHEMBL5692128

Cc1ccc(S(=O)(=O)N(C(=O)C2CNCCN2)[C@@H](Cc2ccc(NC(=O)C3CCNCC3)cc2)C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
TP53 P04637 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
ALDH1A1 P00352 4/20 0.38
ENPP3 O14638 2/20 0.38
ENPP1 P22413 2/20 0.38
ENPP2 Q13822 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM1A O60341 1/20 0.37
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL5690361 0.92 ENPP3 (0.39) MAPTTP53TRPV1ALDH1A1ENPP3
SCHEMBL5690598 0.88 MAPT (0.37) MAPTTP53TRPV1ALDH1A1ENPP3
SCHEMBL5690230 0.84 MAPT (0.38) MAPTTP53TRPV1ALDH1A1ENPP3
SCHEMBL5690619 0.81 TRPV1 (0.39) MAPTTP53TRPV1ALDH1A1ENPP3
SCHEMBL5690666 0.81 MAPT (0.37) MAPTTP53TRPV1ALDH1A1ENPP3
SCHEMBL5690785 0.80 ENPP3 (0.36) MAPTTP53TRPV1ALDH1A1ENPP3
SCHEMBL3858269 0.79 PTGES (0.37) ALDH1A1KMT2A
SCHEMBL5691919 0.78 MAPT (0.36) MAPTTP53TRPV1ALDH1A1ENPP3
SCHEMBL5690856 0.78 ENPP3 (0.35) MAPTTP53TRPV1ALDH1A1ENPP3
SCHEMBL5690950 0.77 ENPP3 (0.38) MAPTTP53TRPV1ALDH1A1ENPP3

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-1001974-B1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2006-05-24 EP claimed