SCHEMBL7327199

SCHEMBL7327199

CCCCCC(=O)NC(=O)C(N)C(CO)CNC(=O)[C@H](C)NC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C(=O)[C@@H](N)COCc1ccccc1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR3 Q9UBY5 2/20 0.34

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
SCHEMBL10378981 0.94 LTA4H (0.34) LTA4HLPAR1LPAR3
SCHEMBL10378259 0.83 LTA4H (0.33) LTA4HLPAR1LPAR3
SCHEMBL7324428 0.73 LTA4H (0.44) LTA4H
SCHEMBL7330559 0.72 LTA4H (0.34) LTA4H
SCHEMBL7323322 0.72 LPAR1 (0.35) LPAR1LPAR3
SCHEMBL7322415 0.71 SPHK1 (0.33)
SCHEMBL7333441 0.71 SPHK1 (0.33)
SCHEMBL7323132 0.71 PPARA (0.46) LTA4H
SCHEMBL7331832 0.69 CTSS (0.43) LTA4H
SCHEMBL7321718 0.68 CTSS (0.32)

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
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed