SCHEMBL6209574

SCHEMBL6209574

CC(C(=O)O)N(C(=O)C(CS)Cc1ccccc1)c1cscn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.47
FOLH1 Q04609 1/20 0.47
MME P08473 7/20 0.44
ALDH1A1 P00352 2/20 0.41
ACE P12821 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
ECE1 P42892 1/20 0.41
BLM P54132 1/20 0.41
NPEPPS P55786 1/20 0.41
KMT2A Q03164 1/20 0.41
LTA4H P09960 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
SCHEMBL6209579 1.00 CPA3 (0.47) CPA3FOLH1MMEALDH1A1ACE
SCHEMBL9556577 0.84 LTA4H (0.37) CPA3FOLH1HPGDMAPTLTA4H
SCHEMBL6208732 0.83 CPA3 (0.50) CPA3FOLH1MMELTA4H
SCHEMBL6208734 0.83 CPA3 (0.50) CPA3FOLH1MMELTA4H
SCHEMBL7380318 0.80 REN (0.45) HSD17B10LTA4H
SCHEMBL7376719 0.79 REN (0.46) ALDH1A1HSD17B10LTA4H
SCHEMBL9556425 0.77 LTA4H (0.43) MMEECE1LTA4H
SCHEMBL6209106 0.77 CPA3 (0.51) CPA3FOLH1MMEALDH1A1ACE
SCHEMBL6209101 0.77 CPA3 (0.51) CPA3FOLH1MMEALDH1A1ACE
SCHEMBL9556709 0.77 LTA4H (0.34) HPGDLTA4H

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883612-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE (ACE/NEP) INHIBITORY ACTIVITY ZAMBON SPA (IT) 2005-02-23 EP claimed
EP-0883612-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE (ACE/NEP) INHIBITORY ACTIVITY ZAMBON SPA (IT) 2005-02-23 EP disclosed
US-6166051-A Thiol derivatives with metallopeptidase (ACE/NEP) inhibitory activity ZAMBON GROUP S.P.A. (IT) 2000-12-26 US disclosed
EP-0883612-A1 THIOL DERIVATIVES WITH METALLOPEPTIDASE (ACE/NEP) INHIBITORY ACTIVITY ZAMBON GROUP S.p.A. (IT) 1998-12-16 EP disclosed
WO-1997024341-A1 THIOL DERIVATIVES WITH METALLOPEPTIDASE (ACE/NEP) INHIBITORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 1997-07-10 WO disclosed