SCHEMBL7599734

SCHEMBL7599734

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
KYNU Q16719 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL7598928 0.87 HSD17B10 (0.47) HSD17B10CYP3A4MMP1MMP3
SCHEMBL7600401 0.86 HSD17B10 (0.51) HSD17B10MMP1MMP3
SCHEMBL7599732 0.85 F10 (0.35) KYNUCYP3A4ALDH1A1ALOX15
SCHEMBL7598920 0.85 HSD17B10 (0.49) HSD17B10KYNU
SCHEMBL7598817 0.81 HSD17B10 (0.44) HSD17B10MMP1MMP3
SCHEMBL7598864 0.77 HSD17B10 (0.53) HSD17B10MMP1MMP3
SCHEMBL8639840 0.76 NPC1 (0.40) HSD17B10
SCHEMBL7602529 0.74 HSD17B10 (0.47) HSD17B10CYP3A4MMP1MMP3
SCHEMBL7600370 0.73 HSD17B10 (0.46) HSD17B10CYP3A4MMP1MMP3
SCHEMBL7596669 0.73 KYNU (0.45) HSD17B10KYNUALDH1A1ALOX15MMP1

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