SCHEMBL14567243

SCHEMBL14567243

CC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 4/20 0.55
MME P08473 2/20 0.54
MMP2 P08253 4/20 0.52
MMP3 P08254 3/20 0.52
MMP7 P09237 2/20 0.52
MMP1 P03956 3/20 0.51
FCER2 P06734 3/20 0.50
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
LTA4H P09960 1/20 0.49

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
SCHEMBL3910340 0.91 MME (0.66) PSMB5MMEMMP2MMP3MMP7
SCHEMBL17026706 0.91 MME (0.66) PSMB5MMEMMP2MMP3MMP7
SCHEMBL10932308 0.91 MME (0.66) PSMB5MMEMMP2MMP3MMP7
SCHEMBL14567249 0.87 MME (0.50) PSMB5MMEMMP2MMP3MMP1
SCHEMBL14567239 0.85 LTA4H (0.50) PSMB5MMEMMP9LTA4H
SCHEMBL17948525 0.83 MME (0.58) MMEMMP2MMP3MMP7MMP1
SCHEMBL24084025 0.82 MME (0.60) MMEMMP2MMP3MMP7MMP1
SCHEMBL10956141 0.81 LTA4H (0.62) MMELTA4H
SCHEMBL15222242 0.80 MME (0.58) MMEMMP2MMP3MMP7MMP1
SCHEMBL13933747 0.80 MMP2 (0.60) MMEMMP2MMP3MMP7MMP1

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-7189708-B2 Topical composition for skin KAO CORPORATION (JP) 2007-03-13 US disclosed