SCHEMBL4815488

SCHEMBL4815488

CCn1cc(Cc2ccccc2-c2ccc(C)c(C(=O)O)c2C(=O)O)c2ccc(C(=N)N)cc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.42
F2 P00734 5/20 0.33
PRSS1 P07477 5/20 0.33
F10 P00742 4/20 0.33
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
RORC P51449 1/20 0.32
ICMT O60725 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
CA2 P00918 1/20 0.32
PLA2G4A P47712 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 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
SCHEMBL4814585 0.94 SLC22A12 (0.48) SLC22A12F2PRSS1F10PLG
SCHEMBL4811451 0.87 SLC22A12 (0.41) SLC22A12F2PRSS1F10PRSS2
SCHEMBL4815014 0.84 SLC22A12 (0.40) SLC22A12F2PRSS1F10PLG
SCHEMBL4814925 0.84 PLA2G4A (0.40) SLC22A12F2PRSS1F10PLG
SCHEMBL4808748 0.82 ALDH1A1 (0.43) SLC22A12F2PRSS1F10PLG
SCHEMBL4809607 0.82 SLC22A12 (0.37) SLC22A12F2PRSS1F10PLG
SCHEMBL4812974 0.81 TDP1 (0.40) SLC22A12F2PRSS1F10
SCHEMBL4806730 0.81 SLC22A12 (0.37) SLC22A12F2PRSS1F10PLG
SCHEMBL4813962 0.80 KMT2A (0.38) SLC22A12F2PRSS1F10PLG
SCHEMBL4813787 0.80 KDM4E (0.46) SLC22A12

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-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US claimed