SCHEMBL7328537

SCHEMBL7328537

CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.48
NOD1 Q9Y239 3/20 0.48
FOLH1 Q04609 4/20 0.46
PLA2G2A P14555 2/20 0.46
PLA2G5 P39877 2/20 0.46
MME P08473 3/20 0.46
BIRC2 Q13490 2/20 0.44
ALDH1A1 P00352 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
REN P00797 1/20 0.42

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
SCHEMBL17770759 0.86 ALDH1A1 (0.56) FOLH1MMEALDH1A1MMP9REN
SCHEMBL7332515 0.86 BIRC2 (0.57) HDAC2FOLH1MMEBIRC2REN
SCHEMBL3426049 0.85 ALDH1A1 (0.62) NOD1FOLH1PLA2G2APLA2G5MME
SCHEMBL3426060 0.85 ALDH1A1 (0.62) NOD1FOLH1PLA2G2APLA2G5MME
SCHEMBL7114227 0.85 ALDH1A1 (0.62) NOD1FOLH1PLA2G2APLA2G5MME
SCHEMBL3381459 0.85 ALDH1A1 (0.62) NOD1FOLH1PLA2G2APLA2G5MME
SCHEMBL3381463 0.85 ALDH1A1 (0.62) NOD1FOLH1PLA2G2APLA2G5MME
SCHEMBL19696456 0.85 MME (0.50) MMEBIRC2ALDH1A1MMP9REN
SCHEMBL17770755 0.85 MME (0.50) MMEBIRC2ALDH1A1MMP9REN
SCHEMBL28266625 0.85 MME (0.50) MMEBIRC2ALDH1A1MMP9REN

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-0393457-B1 Proteinase inhibitor SUNTORY LTD (JP) 1994-07-06 EP disclosed
EP-0393457-A1 Proteinase inhibitor SUNTORY LIMITED (JP) 1990-10-24 EP disclosed