SCHEMBL7401288

SCHEMBL7401288

CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)NO)C(N)=O)[C@@H](C)CC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAGI3 Q5TCQ9 1/20 0.64
EDNRA P25101 1/20 0.55
ECE1 P42892 3/20 0.55
MMP9 P14780 11/20 0.53
MMP8 P22894 11/20 0.53
MMP1 P03956 4/20 0.53
MMP3 P08254 3/20 0.53
CASP1 P29466 1/20 0.53
CASP3 P42574 1/20 0.53
CASP4 P49662 1/20 0.53
CASP5 P51878 1/20 0.53
CASP7 P55210 1/20 0.53
CASP9 P55211 1/20 0.53
CASP6 P55212 1/20 0.53
CASP8 Q14790 1/20 0.53
CASP10 Q92851 1/20 0.53
MMP2 P08253 8/20 0.50
ADAM10 O14672 1/20 0.49
ADAM12 O43184 1/20 0.49
ADAMTS4 O75173 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
SCHEMBL7401285 1.00 MAGI3 (0.64) MAGI3EDNRAECE1MMP9MMP8
SCHEMBL9069770 0.93 MAGI3 (0.68) MAGI3EDNRAECE1MMP9MMP8
SCHEMBL7432395 0.93 MAGI3 (0.65) MAGI3EDNRAECE1MMP9MMP8
SCHEMBL7432399 0.93 MAGI3 (0.65) MAGI3EDNRAECE1MMP9MMP8
SCHEMBL7398708 0.92 MAGI3 (0.60) MAGI3EDNRAECE1MMP9MMP8
SCHEMBL7398710 0.92 MAGI3 (0.60) MAGI3EDNRAECE1MMP9MMP8
SCHEMBL7400880 0.89 EDNRA (0.69) MAGI3EDNRACASP1CASP3CASP4
SCHEMBL9068986 0.87 MAGI3 (0.62) MAGI3EDNRAECE1CASP1CASP3
SCHEMBL9069561 0.87 MAGI3 (0.62) MAGI3EDNRAECE1CASP1CASP3
SCHEMBL7402343 0.87 EDNRA (0.64) MAGI3EDNRAECE1MMP9MMP8

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-1993011154-A1 INHIBITORS OF THE CONVERSION OF BIG ENDOTHELIN TO ENDOTHELIN BERLEX LABORATORIES, INC. (US) 1993-06-10 WO disclosed