SCHEMBL6165543

SCHEMBL6165543

COC(=O)[C@H](Cc1ccc(-c2cccnc2)cc1)NC(=O)[C@@H](CSC(=O)c1ccccc1)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.53
ALDH1A1 P00352 2/20 0.45
THRB P10828 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44
HDAC1 Q13547 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
PPARG P37231 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
BIRC2 Q13490 1/20 0.42

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
SCHEMBL6160649 0.92 MMP12 (0.50) MMP12CYP2C9CYP2C19CTSVCTSL
SCHEMBL6160645 0.92 MMP12 (0.50) MMP12CYP2C9CYP2C19CTSVCTSL
SCHEMBL6161005 0.89 PPARG (0.45) MMP12ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL6160891 0.89 PPARG (0.45) MMP12ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL6161506 0.89 PPARG (0.45) MMP12ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL6162656 0.88 MMP12 (0.43) MMP12ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL6162653 0.88 MMP12 (0.43) MMP12ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL6163224 0.86 ALDH1A1 (0.46) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL6163339 0.86 ALDH1A1 (0.46) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL6162003 0.86 ALDH1A1 (0.46) ALDH1A1THRBCYP2C9CYP2C19HSD17B10

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 4 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-0877740-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2005-03-30 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-5760241-A ANGIOTENSIN CONVERTING ENZYME AND ENKEPHALINASE INHIBITORS; CARDIOVASCULAR DISORDERS ZAMBON GROUP S.P.A. (IT) 1998-06-02 US disclosed