SCHEMBL7598935

SCHEMBL7598935

CC(C)CC(CP(=O)(O)CNC(=O)c1ccccc1)C(=O)N(c1ccc(-c2ccco2)cc1)[C@@H](C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
MMP1 P03956 4/20 0.36
HDAC2 Q92769 1/20 0.35
POLB P06746 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
FFAR1 O14842 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL7603452 0.89 HSD17B10 (0.55) HSD17B10MMP1MMP3
SCHEMBL8641490 0.89 HSD17B10 (0.45) HSD17B10MMP1MMP2MMP3
SCHEMBL7599751 0.87 HSD17B10 (0.47) HSD17B10MMP1MMP2MMP3
SCHEMBL7601877 0.85 HSD17B10 (0.44) HSD17B10MMP1MMP2MMP3
SCHEMBL7607450 0.83 HSD17B10 (0.40) HSD17B10MMP1MMP2MMP3
SCHEMBL7602114 0.82 CTSV (0.40) HSD17B10
SCHEMBL7598837 0.81 HSD17B10 (0.39) HSD17B10MMP1HDAC2MMP2MMP3
SCHEMBL8642472 0.79 MMP3 (0.51) HSD17B10MMP1MMP2MMP3
SCHEMBL7598806 0.79 HSD17B10 (0.43) HSD17B10MMP1MMP2MMP3
SCHEMBL7600024 0.79 HSD17B10 (0.58) HSD17B10MMP1MMP3

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