SCHEMBL6307236

SCHEMBL6307236

CCCCCN[C@@H](Cc1ccc(OC)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.55
KMT2A Q03164 1/20 0.53
FPR2 P25090 1/20 0.50
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
ITGB1 P05556 2/20 0.48
ITGA4 P13612 2/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
CA2 P00918 1/20 0.48
HSD17B10 Q99714 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL30062882 0.90 LDHA (0.59) LDHAKMT2AFPR2MMP2MMP9
SCHEMBL10987492 0.86 ITGB1 (0.48) MMP1MMP2MMP9ITGB1ITGA4
SCHEMBL4850530 0.85 FOLH1 (0.51) CA2SIGMAR1
SCHEMBL4850535 0.85 FOLH1 (0.51) CA2SIGMAR1
SCHEMBL3143813 0.84 BCHE (0.54) MMP1MMP2SIGMAR1
SCHEMBL249801 0.84 BCHE (0.54) MMP1MMP2SIGMAR1
SCHEMBL249802 0.84 BCHE (0.54) MMP1MMP2SIGMAR1
SCHEMBL16116802 0.84 LDHA (0.63) LDHAKMT2AFPR2MMP2MMP9
SCHEMBL839542 0.84 LDHA (0.63) LDHAKMT2AFPR2MMP2MMP9
SCHEMBL18645937 0.84 ITGB3 (0.47) MMP1MMP2MMP9ITGB1ITGA4

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
US-6869788-B2 DNA encoding novel D-aminoacylase and process for producing D-amino acid by using the same MITSUI CHEMICALS, INC. (JP) 2005-03-22 US disclosed
EP-1365023-A1 DNA ENCODING NOVEL D-AMINOACYLASE AND PROCESS FOR PRODUCING D-AMINO ACID BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2003-11-26 EP disclosed
US-20030207436-A1 Dna encoding novel d-aminoacylase and process for producing d-amino acid by using the same MITSUI CHEMICALS, INC. (JP) 2003-11-06 US disclosed