SCHEMBL6941568

SCHEMBL6941568

CC(C)C[C@H](NC(=O)Cc1ccccc1)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.61
PSMB5 P28074 1/20 0.61
CTSL P07711 2/20 0.58
POLB P06746 2/20 0.54
MMP1 P03956 1/20 0.53
FCER2 P06734 1/20 0.53
CNR2 P34972 2/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ERAP2 Q6P179 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
LNPEP Q9UIQ6 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
REN P00797 1/20 0.49

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
SCHEMBL5967294 0.90 PSMB8 (0.54) PSMB8PSMB5CTSLPOLBMMP1
SCHEMBL15251753 0.88 PSMB8 (0.64) PSMB8PSMB5CTSLPOLBCNR2
SCHEMBL2368090 0.88 PSMB8 (0.64) PSMB8PSMB5CTSLPOLBCNR2
SCHEMBL2368096 0.88 PSMB8 (0.64) PSMB8PSMB5CTSLPOLBCNR2
SCHEMBL20950865 0.87 ERAP2 (0.51) PSMB8PSMB5CTSLMMP1FCER2
SCHEMBL20950866 0.87 ERAP2 (0.51) PSMB8PSMB5CTSLMMP1FCER2
SCHEMBL14647999 0.84 POLB (0.56) CTSLPOLBCNR2ALDH1A1MAPT
SCHEMBL20952029 0.84 KISS1R (0.54) CTSL
SCHEMBL20952030 0.84 KISS1R (0.54) CTSL
SCHEMBL20877889 0.83 SMN1; SMN2 (0.60) PSMB5MMP1FCER2ALDH1A1HPGD

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
US-6638937-B2 As antihypertensive agents; for therapy of disorders related to renal, glomerular and mesangial cell function; therapy of endotoxemia or endotoxin shock as well as hemorrhagic shock; useful in alleviation of pain associated cancer BRISTOL-MYERS SQUIBB CO. 2003-10-28 US disclosed