SCHEMBL5690403

SCHEMBL5690403

Cc1ccc(S(=O)(=O)N(C(=O)C2CNCCN2C(=O)OCc2ccccc2)[C@@H](Cc2ccc(NC(=O)C3CCN(C(=O)OCc4ccccc4)CC3)cc2)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.47
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F13A1 P00488 2/20 0.40
TGM2 P21980 2/20 0.40
TGM1 P22735 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
GAA P10253 1/20 0.39
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39

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
SCHEMBL5690356 0.95 ENPP2 (0.48) ENPP2NPC1RAB9ASMN1; SMN2F13A1
SCHEMBL5690759 0.75 TRPV1 (0.41) ENPP2SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL5692100 0.74 PTPN2 (0.44) NPC1RAB9AALDH1A1MAPTTRPV1
SCHEMBL5690337 0.74 ENPP2 (0.49) ENPP2NPC1RAB9ASMN1; SMN2HTT
SCHEMBL5692128 0.74 MAPT (0.38) ENPP2SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL5690873 0.74 ITGB1 (0.60) ENPP2ALDH1A1
SCHEMBL5691183 0.74 ITGB1 (0.60) ENPP2ALDH1A1
SCHEMBL5690689 0.73 PTPN2 (0.43) NPC1RAB9AALDH1A1MAPTTRPV1
SCHEMBL5690604 0.72 ENPP2 (0.48) ENPP2NPC1RAB9ASMN1; SMN2F13A1
SCHEMBL5690382 0.71 ITGB1 (0.53) ENPP2KDM4ELMNAALDH1A1MAPT

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