SCHEMBL5690785

SCHEMBL5690785

CCOC(=O)[C@H](Cc1ccc(NC(=O)C2CCNCC2)cc1)N(C(=O)C1CS(=O)(=O)CCN1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 2/20 0.36
ENPP1 P22413 2/20 0.36
ENPP2 Q13822 2/20 0.36
TP53 P04637 4/20 0.35
MAPT P10636 4/20 0.35
TRPV1 Q8NER1 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL5691489 0.94 ENPP3 (0.36) ENPP3ENPP1ENPP2TP53MAPT
SCHEMBL5691919 0.93 MAPT (0.36) ENPP3ENPP1ENPP2TP53MAPT
SCHEMBL5690856 0.92 ENPP3 (0.35) ENPP3ENPP1ENPP2TP53MAPT
SCHEMBL5690598 0.92 MAPT (0.37) ENPP3ENPP1ENPP2TP53MAPT
SCHEMBL5690950 0.92 ENPP3 (0.38) ENPP3ENPP1ENPP2TP53MAPT
SCHEMBL5691009 0.90 MAPT (0.40) ENPP2TP53MAPTTRPV1KMT2A
SCHEMBL7068178 0.84 POLB (0.40) KMT2AMEN1LMNANPSR1ALDH1A1
SCHEMBL5690759 0.83 TRPV1 (0.41) ENPP2TP53MAPTTRPV1KMT2A
SCHEMBL5690361 0.83 ENPP3 (0.39) ENPP3ENPP1ENPP2TP53MAPT
SCHEMBL5690689 0.81 PTPN2 (0.43) MAPTTRPV1KMT2AMEN1RAB9A

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