SCHEMBL11037359

SCHEMBL11037359

NS(=O)(=O)c1cc(C(=O)NC2CCC3NC(C(=O)OCc4ccccc4)CC3C2)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
CA1 P00915 8/20 0.44
CA2 P00918 8/20 0.44
ENPP2 Q13822 2/20 0.44
PSMD14 O00487 1/20 0.43
USP2 O75604 1/20 0.43
PLA2G1B P04054 1/20 0.43
ALPL P05186 1/20 0.43
POLB P06746 1/20 0.43
MMP2 P08253 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
PTPN7 P35236 1/20 0.43
DUSP3 P51452 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
CA12 O43570 2/20 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
SCHEMBL11037355 0.87 ENPP2 (0.42) NPSR1CA1CA2ENPP2KMT2A
SCHEMBL11040298 0.85 ENPP2 (0.40) NPSR1CA1CA2ENPP2CA12
SCHEMBL11197525 0.71 ACE (0.53) USP2KMT2A
SCHEMBL11197520 0.71 ACE (0.53) USP2KMT2A
SCHEMBL11025572 0.71 TSHR (0.50)
SCHEMBL11282929 0.71 NPC1 (0.53) CA1CA2CA12CA4CA6
SCHEMBL30593486 0.70 TSHR (0.54) KMT2ATDP1L3MBTL1
SCHEMBL30617339 0.70 TSHR (0.54) KMT2ATDP1L3MBTL1
SCHEMBL15541765 0.70 TSHR (0.54) KMT2ATDP1L3MBTL1
SCHEMBL22221128 0.70 TSHR (0.54) KMT2ATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0088350-B1 CARBOXYALKYL DIPEPTIDES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1985-02-20 EP disclosed
EP-0088350-A1 Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1983-09-14 EP disclosed