SCHEMBL5690950

SCHEMBL5690950

Cc1ccc(S(=O)(=O)N(C(=O)C2CS(=O)(=O)CCN2)[C@@H](Cc2ccc(NC(=O)C3CCNCC3)cc2)C(=O)OC2CCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 2/20 0.38
ENPP1 P22413 2/20 0.38
ENPP2 Q13822 2/20 0.38
MAPT P10636 6/20 0.37
TP53 P04637 2/20 0.37
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX12 P18054 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM1A O60341 1/20 0.32
USP30 Q70CQ3 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL5690785 0.92 ENPP3 (0.36) ENPP3ENPP1ENPP2MAPTTP53
SCHEMBL5691919 0.90 MAPT (0.36) ENPP3ENPP1ENPP2MAPTTP53
SCHEMBL5690856 0.90 ENPP3 (0.35) ENPP3ENPP1ENPP2MAPTTP53
SCHEMBL5690598 0.89 MAPT (0.37) ENPP3ENPP1ENPP2MAPTTP53
SCHEMBL5691489 0.88 ENPP3 (0.36) ENPP3ENPP1ENPP2MAPTTP53
SCHEMBL5691009 0.84 MAPT (0.40) ENPP2MAPTTP53LMNASMN1; SMN2
SCHEMBL5690759 0.82 TRPV1 (0.41) ENPP2MAPTTP53LMNASMN1; SMN2
SCHEMBL5690689 0.81 PTPN2 (0.43) MAPTTRPV1MEN1KMT2AALDH1A1
SCHEMBL5690361 0.81 ENPP3 (0.39) ENPP3ENPP1ENPP2MAPTTP53
SCHEMBL7597092 0.79 KDM1A (0.33) MAPTNPSR1MEN1KMT2AKDM1A

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 3 patents. 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
EP-1001974-B1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2006-05-24 EP disclosed
US-6291453-B1 4-amino-phenylalanine type compounds which inhibit leukocyte adhesion mediated by VLA-4 ATHENA NEUROSCIENCES, INC. 2001-09-18 US disclosed