SCHEMBL5690337

SCHEMBL5690337

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.49
ALDH1A1 P00352 2/20 0.49
P2RX7 Q99572 2/20 0.45
GAA P10253 1/20 0.45
FOLH1 Q04609 1/20 0.45
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
YAP1 P46937 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
MAPK1 P28482 1/20 0.42
CCKBR P32239 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL5690604 0.95 ENPP2 (0.48) ENPP2ALDH1A1P2RX7GAAHTT
SCHEMBL5691183 0.81 ITGB1 (0.60) ENPP2ALDH1A1KMT2AITGB1ITGA4
SCHEMBL5690873 0.81 ITGB1 (0.60) ENPP2ALDH1A1KMT2AITGB1ITGA4
SCHEMBL6308859 0.81 ALDH1A1 (0.52) ENPP2ALDH1A1FOLH1KMT2AITGB1
SCHEMBL5690382 0.75 ITGB1 (0.53) ENPP2ALDH1A1KMT2AITGB1ITGA4
SCHEMBL5690403 0.74 ENPP2 (0.47) ENPP2ALDH1A1GAAHTTNPC1
SCHEMBL5852341 0.73 PTPN2 (0.48) ALDH1A1P2RX7GAAKMT2ANPC1
SCHEMBL5690885 0.72 ITGB1 (0.58) ALDH1A1ITGB1ITGA4MAPK1L3MBTL1
SCHEMBL5690356 0.72 ENPP2 (0.48) ENPP2ALDH1A1GAAHTTNPC1
SCHEMBL12771582 0.72 ENPP2 (0.65) ENPP2ALDH1A1KMT2AHTTNPC1

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