SCHEMBL7418972

SCHEMBL7418972

COC(=O)C(CN[C@@H](CC(C)C)C(=O)OCc1ccccc1)c1cccc(Cc2ccc(C)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.43
CTSL P07711 2/20 0.43
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CTSS P25774 2/20 0.40
NTSR1 P30989 1/20 0.40
ATM Q13315 1/20 0.40
RECQL P46063 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7423971 0.86 MAPT (0.46) CTSKCTSLMAPTNPSR1TDP1
SCHEMBL5869681 0.80 CTSK (0.47) CTSKCTSLMAPTNPSR1TDP1
SCHEMBL5869689 0.80 CTSK (0.47) CTSKCTSLMAPTNPSR1TDP1
SCHEMBL5869683 0.80 CTSK (0.47) CTSKCTSLMAPTNPSR1TDP1
SCHEMBL7415848 0.79 CTSK (0.45) CTSKCTSLMAPTNPSR1ALDH1A1
SCHEMBL29032634 0.75 CTSK (0.56) CTSKCTSLMAPTCTSSS1PR4
SCHEMBL18775038 0.75 CTSK (0.56) CTSKCTSLMAPTCTSSS1PR4
SCHEMBL7429552 0.75 HSD17B10 (0.45) CTSKCTSLMAPTNPSR1ALDH1A1
SCHEMBL5870287 0.74 ANPEP (0.49) CTSKCTSLCTSSS1PR4S1PR1
SCHEMBL5870290 0.74 ANPEP (0.49) CTSKCTSLCTSSS1PR4S1PR1

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