SCHEMBL7329900

SCHEMBL7329900

COC(=O)C(C(C)C)N(C(=O)CCCCCc1ccccc1)C(=O)C(N)C(CO)CNC(=O)[C@H](C)N(C(=O)OCc1ccccc1)C(=O)[C@H](C)NC(=O)[C@@H](N)COCc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.31
MMP14 P50281 1/20 0.31
TLR2 O60603 2/20 0.30
LGMN Q99538 1/20 0.30

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
SCHEMBL7321718 0.94 CTSS (0.32) TLR2
SCHEMBL7330559 0.90 LTA4H (0.34)
SCHEMBL7327734 0.89 ALOX5 (0.32)
SCHEMBL7329470 0.87 CTSS (0.32) TLR2
SCHEMBL7322952 0.87 CTSS (0.32) TLR2
SCHEMBL7332732 0.85 CASP1 (0.34)
SCHEMBL7332144 0.85 CASP1 (0.34)
SCHEMBL7322631 0.85 CASP1 (0.34)
SCHEMBL7322023 0.84 TLR2 (0.33) TLR2
SCHEMBL7324394 0.84 TPSAB1 (0.40) MMP8MMP14LGMN

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
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed