SCHEMBL7364536

SCHEMBL7364536

O=C(O)CC1Oc2ccc(C[C@H](NS(=O)(=O)c3ccc4ccccc4c3)C(=O)OCc3ccccc3)cc2NC1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.44
HPN P05981 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
BACE1 P56817 1/20 0.40
F2 P00734 3/20 0.40
PLG P00747 3/20 0.39
F12 P00748 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
PROC P04070 1/20 0.39
NPY5R Q15761 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7364282 0.92 ALOX15 (0.41) BACE1ITGB3ITGA2BALOX15HSD17B10
SCHEMBL7161019 0.91 POLB (0.43) F2PLGF12PLAUKLKB1
SCHEMBL7370705 0.90 HSD17B10 (0.46) HPNST14BACE1ALOX15HSD17B10
SCHEMBL7468966 0.87 BDKRB1 (0.39) F10HPNST14F2ITGB3
SCHEMBL7370604 0.86 ITGB3 (0.46) F10HPNST14ITGB3HSD17B10
SCHEMBL7370120 0.86 HSD17B10 (0.41) ITGB3ITGA2BALOX15HSD17B10
SCHEMBL7472561 0.85 ITGB3 (0.41) F10HPNST14ITGB3ITGA2B
SCHEMBL7165857 0.83 MMP2 (0.47) ITGB3ITGA2BALOX15HSD17B10
SCHEMBL7367335 0.82 GAA (0.40) ALOX15HSD17B10
SCHEMBL7366599 0.82 ITGB3 (0.41) ITGB3ITGA2BALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0964856-B1 BICYCLIC AMINO ACIDS MERCK PATENT GMBH (DE) 2002-10-09 EP disclosed
EP-0964856-A1 BICYCLIC AMINO ACIDS MERCK PATENT GmbH (DE) 1999-12-22 EP disclosed
WO-1998035949-A1 BICYCLIC AMINO ACIDS MERCK PATENT GMBH (DE) 1998-08-20 WO disclosed