SCHEMBL7438416

SCHEMBL7438416

N=C(N)NCCC[C@H](NC(=O)C1(C(=O)NCCc2ccccc2)CCCC1)B(O)OS(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.36
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
CA2 P00918 5/20 0.34
CA5A P35218 4/20 0.34
CA1 P00915 4/20 0.34
CA7 P43166 3/20 0.34
CA12 O43570 3/20 0.34
CA9 Q16790 3/20 0.34
CA4 P22748 2/20 0.34
CA14 Q9ULX7 2/20 0.34
MMP8 P22894 2/20 0.34
SPHK1 Q9NYA1 4/20 0.33
CA5B Q9Y2D0 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
NPC1 O15118 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL7443029 0.93 CA2 (0.35) F2PLGPRSS1CA2CA5A
SCHEMBL7441852 0.92 CA2 (0.34) F2PLGPRSS1CA2CA5A
SCHEMBL7441705 0.91 CA2 (0.35) F2PLGPRSS1CA2CA5A
SCHEMBL7441617 0.89 CA2 (0.36) F2PLGPRSS1CA2CA5A
SCHEMBL7435478 0.87 F2 (0.41) F2PLGPRSS1CA2CA5A
SCHEMBL7435474 0.87 F2 (0.41) F2PLGPRSS1CA2CA5A
SCHEMBL7433728 0.86 F2 (0.43) F2PLGPRSS1MMP8SPHK1
SCHEMBL7433719 0.86 F2 (0.43) F2PLGPRSS1MMP8SPHK1
SCHEMBL7444553 0.84 F2 (0.41) F2PLGPRSS1MMP8SPHK1
SCHEMBL7437089 0.83 F2 (0.38) F2PLGPRSS1MMP1MMP2

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
US-5814622-A COMPOUND USEFUL AS TRYPSIN LIKE SERINE PROTEASE AS THROMBIN INHIBITORS ADIR ET COMPAGNIE (FR) 1998-09-29 US disclosed