SCHEMBL7596669

SCHEMBL7596669

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.45
ACE2 Q9BYF1 1/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
CTSK P43235 5/20 0.43
HSD17B10 Q99714 1/20 0.43
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
MME P08473 1/20 0.42
ECE1 P42892 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41

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 0.87 HSD17B10 (0.40) KYNUACE2MMP1CTSKHSD17B10
SCHEMBL7600401 0.86 HSD17B10 (0.51) MMP1MMP3HSD17B10
SCHEMBL7602466 0.84 MMP1 (0.55) ACE2MMP1MMP3CTSKHSD17B10
SCHEMBL9698601 0.83 HSD17B10 (0.56) KYNUACE2MMP1MMP3CTSK
SCHEMBL7403327 0.83 CTSK (0.58) CTSKCTSLCTSBCTSS
SCHEMBL8639837 0.81 GPR88 (0.37) MMP1CTSB
SCHEMBL8752163 0.79 GPR88 (0.37) MMP1HSD17B10CTSB
SCHEMBL7598874 0.79 HSD17B10 (0.62) ACE2MMP1MMP3HSD17B10MME
Hydrochloric Acid SCHEMBL6926940 0.78 GPR88 (0.37) MMP1HSD17B10CTSB
SCHEMBL8641877 0.78 GPR88 (0.36) MMP1MMP3HSD17B10

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 disclosed
US-5716943-A CARDIOVASCULAR DISORDERS ZAMBON GROUP. S.P.A. (IT) 1998-02-10 US disclosed