SCHEMBL7311722

SCHEMBL7311722

COC(=O)[C@H](C)N(C(=O)C(CSC(=O)c1ccccc1)Cc1ccco1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
F10 P00742 2/20 0.35
PRSS1 P07477 2/20 0.35
F2 P00734 1/20 0.35
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34
ESR2 Q92731 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
PLA2G1B P04054 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
CAPN1 P07384 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
SCHEMBL7341475 0.87 F10 (0.42) ALDH1A1GAARAB9AF10PRSS1
SCHEMBL7333955 0.87 F10 (0.42) ALDH1A1GAARAB9AF10PRSS1
SCHEMBL7311243 0.87 F10 (0.42) ALDH1A1GAARAB9AF10PRSS1
SCHEMBL7311130 0.87 F10 (0.42) ALDH1A1GAARAB9AF10PRSS1
SCHEMBL7322605 0.84 F10 (0.35) ALDH1A1NPC1RAB9AF10PRSS1
SCHEMBL7319399 0.80 F10 (0.42) F10PRSS1F2CAPN1CTSL
SCHEMBL7319260 0.80 F10 (0.41) ALDH1A1F10PRSS1F2CTSL
SCHEMBL7311691 0.80 KMT2A (0.38) ALDH1A1NPC1RAB9AF10PRSS1
SCHEMBL6209304 0.79 CYP2C9 (0.37) ALDH1A1KMT2AMEN1PLA2G1BHTT
SCHEMBL6209963 0.79 CYP2C9 (0.37) ALDH1A1KMT2AMEN1PLA2G1BHTT

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-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-5760241-A ANGIOTENSIN CONVERTING ENZYME AND ENKEPHALINASE INHIBITORS; CARDIOVASCULAR DISORDERS ZAMBON GROUP S.P.A. (IT) 1998-06-02 US disclosed