SCHEMBL5869682

SCHEMBL5869682

CC(C)CC(NC(CCc1ccccc1)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.56
MME P08473 1/20 0.51
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ACE P12821 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPR3 P17342 1/20 0.46
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45

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
SCHEMBL8248824 1.00 REN (0.56) RENMMECTSSCTSKPOLB
SCHEMBL8248827 1.00 REN (0.56) RENMMECTSSCTSKPOLB
SCHEMBL9443008 0.95 REN (0.58) RENMMECTSSCTSKPOLB
SCHEMBL7380184 0.95 REN (0.58) RENMMECTSSCTSKPOLB
SCHEMBL7380187 0.95 REN (0.58) RENMMECTSSCTSKPOLB
SCHEMBL10707175 0.91 REN (0.57) RENCTSSCTSKPOLBMAPT
SCHEMBL10707172 0.91 REN (0.57) RENCTSSCTSKPOLBMAPT
SCHEMBL7329599 0.88 REN (0.57) RENCTSSCTSKPOLBMAPT
SCHEMBL9442911 0.88 REN (0.57) RENCTSSCTSKPOLBMAPT
SCHEMBL7387244 0.88 REN (0.57) RENCTSSCTSKPOLBMAPT

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
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-6632830-B1 Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 US disclosed