SCHEMBL16762298

SCHEMBL16762298

O=C(NCCCC[C@H](NC(=O)c1ccccc1)C(=O)N(Cc1cccs1)Cc1cccs1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
FOLH1 Q04609 4/20 0.49
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TPSAB1 Q15661 1/20 0.47
PTGER4 P35408 3/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
DPP8 Q6V1X1 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
TGM2 P21980 1/20 0.44

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
SCHEMBL21715244 1.00 CA1 (0.54) CA1CA2FOLH1PRSS1PRSS2
SCHEMBL16762202 0.92 FOLH1 (0.52) CA1CA2FOLH1MMP2MMP9
SCHEMBL28820366 0.89 SIRT2 (0.49) CA1CA2FOLH1PTGER4
SCHEMBL31277511 0.89 SIRT2 (0.51) FOLH1
SCHEMBL21543891 0.89 SIRT2 (0.51) FOLH1
SCHEMBL21543552 0.87 MAPT (0.57) FOLH1
SCHEMBL16762087 0.87 FOLH1 (0.48) FOLH1
SCHEMBL16762160 0.85 FOLH1 (0.46) CA1CA2FOLH1PRSS1PRSS2
SCHEMBL16761989 0.85 FOLH1 (0.46) CA1CA2FOLH1PRSS1PRSS2
SCHEMBL15249565 0.85 DPP8 (0.48) FOLH1MMP2MMP9DPP8DPP7

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-2881392-A1 Agonists that enhance binding of integrin-expressing cells to integrin receptors Texas Heart Institute (US) 2015-06-10 EP disclosed