SCHEMBL7599732

SCHEMBL7599732

COC(=O)[C@H](C)N(C(=O)C(Cc1cccs1)CP(=O)(OC)C(N)C(=O)OCc1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.35
PRSS1 P07477 4/20 0.35
F2 P00734 3/20 0.35
KYNU Q16719 1/20 0.34
CTSC P53634 3/20 0.34
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
GPR88 Q9GZN0 1/20 0.32
HPGDS O60760 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
SCHEMBL7600399 0.86 HSD17B10 (0.40) F10PRSS1F2KYNUGPR88
SCHEMBL7599734 0.85 HSD17B10 (0.39) KYNUCYP3A4ALDH1A1ALOX15
SCHEMBL7598917 0.84 HSD17B10 (0.37) F10PRSS1F2GPR88
SCHEMBL7598928 0.79 HSD17B10 (0.47) CYP3A4
SCHEMBL8639837 0.77 GPR88 (0.37) F10PRSS1F2GPR88HPGDS
SCHEMBL7596669 0.74 KYNU (0.45) KYNUALDH1A1ALOX15
SCHEMBL7600401 0.71 HSD17B10 (0.51)
SCHEMBL7598876 0.70 ACE2 (0.44)
SCHEMBL7598920 0.69 HSD17B10 (0.49) KYNU
SCHEMBL8752163 0.68 GPR88 (0.37) F10PRSS1F2RAB9AGPR88

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-0832085-B1 PHOSPHINIC ACID DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2002-12-18 EP disclosed