SCHEMBL7426645

SCHEMBL7426645

CC(C)CC(NCC(C(=O)O)c1cccc(OCc2ccncc2)c1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 9/20 0.50
CYP27B1 O15528 1/20 0.47
CYP24A1 Q07973 1/20 0.47
CTSK P43235 3/20 0.43
CTSL P07711 2/20 0.43
CTSS P25774 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CTSB P07858 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX5 P09917 1/20 0.41
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 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
SCHEMBL7424457 0.88 NR4A2 (0.48) GPR132CTSKKMT2AMEN1
SCHEMBL7421871 0.88 CTSK (0.48) GPR132CYP27B1CYP24A1CTSKCTSL
SCHEMBL7425598 0.87 KMT2A (0.41) GPR132CTSKKMT2AMEN1SMN1; SMN2
SCHEMBL7424536 0.86 MAPK1 (0.42) CTSKKMT2AMEN1SMN1; SMN2ALOX5
SCHEMBL7427134 0.86 MEN1 (0.41) CTSKKMT2AMEN1ALOX5
SCHEMBL7421897 0.85 NR4A2 (0.49)
SCHEMBL7420340 0.84 MAPT (0.44) CTSKCTSLCTSSMME
SCHEMBL7424286 0.81 NR4A2 (0.49) GPR132KMT2AMEN1
SCHEMBL5869757 0.78 GPR132 (0.60) GPR132CTSKCTSLCTSSMME
SCHEMBL5869635 0.78 GPR132 (0.60) GPR132CTSKCTSLCTSSMME

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