SCHEMBL7398708

SCHEMBL7398708

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAGI3 Q5TCQ9 1/20 0.60
MMP9 P14780 15/20 0.59
MMP8 P22894 15/20 0.59
MMP1 P03956 3/20 0.59
MMP3 P08254 3/20 0.59
EDNRA P25101 1/20 0.59
ECE1 P42892 3/20 0.57
MMP2 P08253 13/20 0.55
ADAM10 O14672 1/20 0.55
ADAM12 O43184 1/20 0.55
ADAMTS4 O75173 1/20 0.55
MMP7 P09237 1/20 0.55
MMP12 P39900 1/20 0.55
MMP13 P45452 1/20 0.55
MMP14 P50281 1/20 0.55
MMP15 P51511 1/20 0.55
MMP16 P51512 1/20 0.55
ADAM17 P78536 1/20 0.55
ADAM9 Q13443 1/20 0.55
MMP26 Q9NRE1 1/20 0.55

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
SCHEMBL7398710 1.00 MAGI3 (0.60) MAGI3MMP9MMP8MMP1MMP3
SCHEMBL7401285 0.92 MAGI3 (0.64) MAGI3MMP9MMP8MMP1MMP3
SCHEMBL7401288 0.92 MAGI3 (0.64) MAGI3MMP9MMP8MMP1MMP3
SCHEMBL9069917 0.91 EDNRA (0.69) MAGI3MMP9MMP8MMP1EDNRA
SCHEMBL7397165 0.89 EDNRA (0.73) MAGI3MMP9MMP8MMP1EDNRA
SCHEMBL9069561 0.89 MAGI3 (0.62) MAGI3EDNRAECE1
SCHEMBL9068986 0.89 MAGI3 (0.62) MAGI3EDNRAECE1
SCHEMBL7402345 0.88 EDNRA (0.64) MAGI3MMP9MMP8MMP1MMP3
SCHEMBL7402343 0.88 EDNRA (0.64) MAGI3MMP9MMP8MMP1MMP3
SCHEMBL9069770 0.88 MAGI3 (0.68) MAGI3MMP9MMP8MMP1EDNRA

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