SCHEMBL8773913

SCHEMBL8773913

CC(C)C[C@H](NC(=O)C(CC(=O)OC(C)(C)C)CC1CCCCC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.49
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
KMT2A Q03164 1/20 0.44
REN P00797 11/20 0.44
BCHE P06276 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40

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
SCHEMBL8773906 0.83 MME (0.55) CTSSCTSKKMT2AMMP2
SCHEMBL9622584 0.82 LTA4H (0.52) LTA4HKMT2ARENMMP1MMP2
SCHEMBL9622591 0.82 LTA4H (0.52) LTA4HKMT2ARENMMP1MMP2
SCHEMBL9067212 0.82 LTA4H (0.47) LTA4HKMT2ARENBCHEMMP1
SCHEMBL7385076 0.82 REN (0.44) LTA4HCTSSCTSKREN
SCHEMBL5488356 0.81 LTA4H (0.47) LTA4HCTSSCTSKKMT2AMMP1
SCHEMBL5488359 0.81 LTA4H (0.47) LTA4HCTSSCTSKKMT2AMMP1
SCHEMBL14492872 0.81 LTA4H (0.46) LTA4HCTSSCTSKKMT2AREN
SCHEMBL7385072 0.81 REN (0.56) REN
SCHEMBL1914687 0.80 CTSK (0.45) LTA4HCTSSCTSKKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793643-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-09-10 EP disclosed
WO-1996016027-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-05-30 WO disclosed