SCHEMBL17685459

SCHEMBL17685459

CCCCC[C@H](CN(O)C=O)C(=O)NNC(=O)c1ccc2c(c1)CC(=O)O2

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 8/20 0.47
MMP12 P39900 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6024553 0.85 TAS1R3 (0.52) BMP1MMP12TAS1R3TAS1R1
SCHEMBL6024347 0.85 BMP1 (0.49) BMP1MMP12TAS1R3TAS1R1HTT
SCHEMBL6023947 0.84 TAS1R3 (0.53) BMP1MMP12TAS1R3TAS1R1HTT
SCHEMBL6023887 0.83 BMP1 (0.47) BMP1MMP12TAS1R3TAS1R1HTT
SCHEMBL6023890 0.79 BMP1 (0.44) BMP1MMP12HTT
SCHEMBL6023832 0.78 BMP1 (0.58) BMP1MMP12
SCHEMBL6026541 0.78 BMP1 (0.45) BMP1MMP12
SCHEMBL6024429 0.78 HDAC11 (0.51) BMP1MMP12
SCHEMBL6024639 0.78 BMP1 (0.51) BMP1MMP12
SCHEMBL6024091 0.77 BMP1 (0.54) BMP1MMP12TAS1R3TAS1R1HTT

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-1363873-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-04-20 EP claimed