SCHEMBL14567239

SCHEMBL14567239

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
PSMB5 P28074 1/20 0.49
ACE P12821 1/20 0.47
MME P08473 1/20 0.47
GPR142 Q7Z601 1/20 0.47
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP14 P50281 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
PAM P19021 1/20 0.46
OPRD1 P41143 2/20 0.46
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL10956141 0.90 LTA4H (0.62) LTA4HACEMME
SCHEMBL14567243 0.85 PSMB5 (0.55) LTA4HPSMB5MMEMMP9
SCHEMBL14567249 0.85 MME (0.50) LTA4HPSMB5MMEGPR142
SCHEMBL12837983 0.83 LTA4H (0.49) LTA4HACEMMEMMP9MMP8
SCHEMBL3910340 0.81 MME (0.66) LTA4HPSMB5ACEMMEMMP9
SCHEMBL17026706 0.81 MME (0.66) LTA4HPSMB5ACEMMEMMP9
SCHEMBL10932308 0.81 MME (0.66) LTA4HPSMB5ACEMMEMMP9
SCHEMBL23194392 0.78 CTSC (0.60) LTA4HMMEOPRD1OPRM1OPRK1
SCHEMBL14985789 0.78 CTSC (0.60) LTA4HMMEOPRD1OPRM1OPRK1
SCHEMBL547297 0.77 NAALAD2 (0.55) MMEMMP9

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