SCHEMBL10477347

SCHEMBL10477347

CCCCOC(=O)N[C@@H](Cc1c(CC)cc(O)cc1CC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.39
ITGA2B P08514 11/20 0.39
ACE P12821 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
TYR P14679 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTSK P43235 1/20 0.37

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
SCHEMBL10477348 1.00 ITGB3 (0.39) ITGB3ITGA2BACEACE2SMN1; SMN2
SCHEMBL10477366 0.93 ITGB1 (0.41) ITGB3ITGA2BACEACE2SMN1; SMN2
SCHEMBL6015436 0.88 ITGB1 (0.43) ITGB3ITGA2BSMN1; SMN2CYP1A2CYP2C19
SCHEMBL10477488 0.88 ITGB1 (0.43) ITGB3ITGA2BSMN1; SMN2CYP1A2CYP2C19
SCHEMBL2252894 0.80 FOLH1 (0.56) ITGB3ITGA2BACEACE2SMN1; SMN2
SCHEMBL10477354 0.80 ACE (0.51) ITGB3ITGA2BACECTSK
SCHEMBL11370729 0.80 ACE (0.51) ITGB3ITGA2BACECTSK
SCHEMBL2252892 0.80 FOLH1 (0.56) ITGB3ITGA2BACEACE2SMN1; SMN2
SCHEMBL2149054 0.79 POLB (0.45) ITGB3ITGA2BITGB1ITGA4ALDH1A1
SCHEMBL1721256 0.79 ITGB3 (0.41) ITGB3ITGA2BACEACE2SMN1; SMN2

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
US-4879398-A Process for producing 2,6-disubstituted tyrosine MONSANTO COMPANY (US) 1989-11-07 US disclosed