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SCHEMBL7602529

SCHEMBL7602529

C[C@@H](C(=O)O)N(C(=O)C(Cc1nccs1)CP(=O)(O)CNC(=O)OCc1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.47
▸ MMP3 P08254 4/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ CYP3A4 P08684 4/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37

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
SCHEMBL7600370 0.98 HSD17B10 (0.46) HSD17B10MMP3MMP1CYP3A4ACE2
SCHEMBL7598864 0.88 HSD17B10 (0.53) HSD17B10MMP3MMP1ACE2
SCHEMBL7598928 0.87 HSD17B10 (0.47) HSD17B10MMP3MMP1CYP3A4ACE2
SCHEMBL7597343 0.86 HSD17B10 (0.54) HSD17B10MMP3MMP1ACE2
SCHEMBL7597454 0.85 HSD17B10 (0.47) HSD17B10MMP3MMP1CYP3A4ACE2
SCHEMBL7598874 0.84 HSD17B10 (0.62) HSD17B10MMP3MMP1ACE2
SCHEMBL7598936 0.83 HSD17B10 (0.49) HSD17B10MMP3MMP1ACE2
SCHEMBL7598954 0.81 HSD17B10 (0.54) HSD17B10MMP3MMP1ACE2
SCHEMBL7596590 0.80 HSD17B10 (0.49) HSD17B10MMP3MMP1
SCHEMBL7597203 0.79 HRH4 (0.49) HSD17B10MMP3MMP1

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 2 patents. 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 claimed
US-5716943-A CARDIOVASCULAR DISORDERS ZAMBON GROUP. S.P.A. (IT) 1998-02-10 — — US claimed