SCHEMBL8358740

SCHEMBL8358740

NC(=O)C[C@@H](NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MPO P05164 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
CTSC P53634 3/20 0.49
IL1RN P18510 3/20 0.49
ECE1 P42892 2/20 0.48
ERAP2 Q6P179 2/20 0.48
ERAP1 Q9NZ08 1/20 0.48
TACR1 P25103 2/20 0.48
ACE P12821 2/20 0.48
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46

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
SCHEMBL8354794 1.00 KDM4E (0.50) KDM4EMEN1LMNAMPOMAPT
SCHEMBL8360534 0.90 ERAP2 (0.49) KDM4EMEN1LMNAMPOMAPT
SCHEMBL8422131 0.87 MMP9 (0.52) MEN1KMT2AIL1RNECE1ERAP2
SCHEMBL14446443 0.87 GHSR (0.53) IL1RNECE1ERAP2ERAP1ACE
SCHEMBL14446363 0.87 GHSR (0.53) IL1RNECE1ERAP2ERAP1ACE
SCHEMBL8418339 0.87 MMP9 (0.52) MEN1KMT2AIL1RNECE1ERAP2
SCHEMBL14446439 0.87 GHSR (0.53) IL1RNECE1ERAP2ERAP1ACE
SCHEMBL14446366 0.87 GHSR (0.53) IL1RNECE1ERAP2ERAP1ACE
SCHEMBL8196579 0.84 MAPT (0.62) KDM4EMEN1LMNAMPOMAPT
SCHEMBL8196577 0.84 MAPT (0.62) KDM4EMEN1LMNAMPOMAPT

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-2003017924-A2 LIPOPEPTIDE STEREOISOMERS, METHODS FOR PREPARING SAME, AND USEFUL INTERMEDIATES CUBIST PHARMACEUTICALS, INC. (US) 2003-03-06 WO disclosed