SCHEMBL3470656

SCHEMBL3470656

CC(C)(C)OC(=O)NN[C@@H](Cc1ccccc1)C(=O)O.O=C(c1ncc[nH]1)c1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
ACE P12821 2/20 0.47
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
PPARA Q07869 3/20 0.43
APP P05067 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42
PPARG P37231 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
SCHEMBL1888967 0.90 ACE (0.59) PTPN1ACEMAPTPOLBTDP1
SCHEMBL1888965 0.90 ACE (0.59) PTPN1ACEMAPTPOLBTDP1
SCHEMBL1691095 0.84 ACE (0.60) PTPN1ACECTSSCTSLCTSB
SCHEMBL2721558 0.84 ACE (0.60) PTPN1ACECTSSCTSLCTSB
SCHEMBL1889046 0.81 CTSS (0.55) PTPN1ACEMAPTPOLBTDP1
SCHEMBL3470654 0.76 MAPT (0.38) MAPTPOLBTDP1KMT2A
Bicarbonate SCHEMBL3813183 0.75 CTSS (0.58) PTPN1ACECTSSCTSLCTSB
SCHEMBL7554167 0.74 CTSS (0.67) ACECTSSCTSLCTSBCTSK
SCHEMBL21164375 0.74 CTSS (0.53) ACEMAPTPOLBTDP1CTSS
SCHEMBL29129568 0.73 CTSK (0.58) ACECTSSCTSLCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010143150-A2 PROCESS FOR STEREOSELECTIVE PREPARATION OF AN INTERMEDIATE OF PROTEASE INHIBITORS PIRAMAL HEALTHCARE LIMITED (IN) 2010-12-16 WO disclosed