SCHEMBL7273685

SCHEMBL7273685

C=CCC(CC(=O)O)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
POLB P06746 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
PKM P14618 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
AADAT Q8N5Z0 1/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HSD11B1 P28845 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL7275256 0.86 ALDH1A1 (0.53) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL13652727 0.81 ALDH1A1 (0.52) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL7280980 0.78 ALDH1A1 (0.57) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL7273677 0.78 ALDH1A1 (0.57) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL7281109 0.78 ALDH1A1 (0.57) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL7280961 0.78 ALDH1A1 (0.57) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL7280949 0.78 ALDH1A1 (0.57) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL7272829 0.76 ALDH1A1 (0.55) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL7281721 0.75 ALDH1A1 (0.54) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL11619526 0.75 ALDH1A1 (0.72) ALDH1A1GAAKMT2AMEN1POLB

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-0481522-B1 Novel mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMA INC (US) 1997-12-29 EP disclosed
US-5527795-A Mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMACEUTICALS INC. (US) 1996-06-18 US disclosed
US-5491143-A Mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ACE MERRELL DOW PHARMACEUTICALS INC. (US) 1996-02-13 US disclosed
US-5430145-A Analgesics, reduction of drug withdrawal symptoms, hypotensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1995-07-04 US disclosed
EP-0481522-A1 Novel mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL PHARMACEUTICALS INC. (US) 1992-04-22 EP disclosed