SCHEMBL7423971

SCHEMBL7423971

COC(=O)C(CN[C@@H](CC(C)C)C(=O)OCc1ccccc1)c1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NTSR1 P30989 1/20 0.46
ATM Q13315 1/20 0.46
RECQL P46063 1/20 0.46
CTSK P43235 5/20 0.44
S1PR4 O95977 2/20 0.43
S1PR1 P21453 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL7418972 0.86 CTSK (0.43) MAPTALDH1A1NPSR1NTSR1ATM
SCHEMBL18775038 0.80 CTSK (0.56) MAPTCTSKS1PR4S1PR1CTSS
SCHEMBL29032634 0.80 CTSK (0.56) MAPTCTSKS1PR4S1PR1CTSS
SCHEMBL7429552 0.80 HSD17B10 (0.45) MAPTALDH1A1NPSR1NTSR1ATM
SCHEMBL2848810 0.79 ESR1 (0.44) CTSKMEN1KMT2ACTSSCTSL
SCHEMBL5869462 0.77 ANPEP (0.50) CTSKCTSSCTSL
SCHEMBL5869690 0.77 ANPEP (0.50) CTSKCTSSCTSL
SCHEMBL5869470 0.77 ANPEP (0.50) CTSKCTSSCTSL
SCHEMBL5869300 0.77 ANPEP (0.50) CTSKCTSSCTSL
SCHEMBL5869457 0.77 ANPEP (0.50) CTSKCTSSCTSL

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-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed