SCHEMBL7322272

SCHEMBL7322272

C[C@@H](C(=O)O)N(C(=O)C(CS)Cc1ccco1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CAPN1 P07384 1/20 0.35
CTSL P07711 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
CPA3 P15088 1/20 0.35
FOLH1 Q04609 1/20 0.35
TSHR P16473 1/20 0.34
MME P08473 1/20 0.34

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
SCHEMBL7323948 0.84 CPA3 (0.52) CPA3FOLH1MME
SCHEMBL7315467 0.84 CPA3 (0.52) CPA3FOLH1MME
SCHEMBL7333784 0.84 CPA3 (0.52) CPA3FOLH1MME
SCHEMBL7313773 0.84 CPA3 (0.52) CPA3FOLH1MME
SCHEMBL7324292 0.81 LIPC (0.35) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL7315216 0.77 ECE1 (0.49) CAPN1CTSLCPA3
Hydrochloric Acid SCHEMBL7854941 0.76 ECE1 (0.48) CAPN1CTSL
SCHEMBL7312449 0.76 CPA3 (0.43) CPA3FOLH1MME
SCHEMBL7311722 0.76 ALDH1A1 (0.36) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL7315209 0.75 PTGS2 (0.40) MME

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
US-5994539-A Mercapto acyl aminoacid derivatives endowed with dual ACE-NEP inhibitory activity, useful in the treatment of cardiovascular diseases ZAMBON GROUP S.P.A. (IT) 1999-11-30 US claimed
EP-0805817-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2001-08-16 EP disclosed
US-5994539-A Mercapto acyl aminoacid derivatives endowed with dual ACE-NEP inhibitory activity, useful in the treatment of cardiovascular diseases ZAMBON GROUP S.P.A. (IT) 1999-11-30 US disclosed
US-5866604-A Thiol derivatives with metallopeptidase inhibitory activity ZAMBON GROUP S.P.A. (IT) 1999-02-02 US disclosed
US-5760241-A ANGIOTENSIN CONVERTING ENZYME AND ENKEPHALINASE INHIBITORS; CARDIOVASCULAR DISORDERS ZAMBON GROUP S.P.A. (IT) 1998-06-02 US disclosed