SCHEMBL7397536

SCHEMBL7397536

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 8/20 0.59
▸ MMP9 P14780 7/20 0.56
▸ MMP8 P22894 7/20 0.56
▸ MMP2 P08253 4/20 0.56
▸ EDNRA P25101 1/20 0.56
▸ MMP1 P03956 3/20 0.55
▸ MMP3 P08254 3/20 0.55
▸ ADAM10 O14672 1/20 0.54
▸ ADAM12 O43184 1/20 0.54
▸ ADAMTS4 O75173 1/20 0.54
▸ MMP7 P09237 1/20 0.54
▸ MMP12 P39900 1/20 0.54
▸ MMP13 P45452 1/20 0.54
▸ MMP14 P50281 1/20 0.54
▸ MMP15 P51511 1/20 0.54
▸ MMP16 P51512 1/20 0.54
▸ ADAM17 P78536 1/20 0.54
▸ ADAM9 Q13443 1/20 0.54
▸ MMP26 Q9NRE1 1/20 0.54
▸ MMP17 Q9ULZ9 1/20 0.54

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
SCHEMBL7397525 1.00 ECE1 (0.59) ECE1MMP9MMP8MMP2EDNRA
SCHEMBL7391591 1.00 ECE1 (0.59) ECE1MMP9MMP8MMP2EDNRA
SCHEMBL7404624 0.91 ACE (0.64) ECE1EDNRAKMT2AL3MBTL1ACE
SCHEMBL7404621 0.91 ACE (0.64) ECE1EDNRAKMT2AL3MBTL1ACE
SCHEMBL7402345 0.90 EDNRA (0.64) ECE1MMP9MMP8MMP2EDNRA
SCHEMBL7402343 0.90 EDNRA (0.64) ECE1MMP9MMP8MMP2EDNRA
SCHEMBL30053232 0.89 ACE (0.59) ECE1MMP9MMP8EDNRAMAGI3
SCHEMBL7446375 0.88 ACE (0.54) ECE1EDNRAMAGI3KMT2AL3MBTL1
SCHEMBL7394085 0.88 ACE (0.54) ECE1EDNRAMAGI3KMT2AL3MBTL1
SCHEMBL7394083 0.88 ACE (0.54) ECE1EDNRAMAGI3KMT2AL3MBTL1

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-5504070-A ADMINISTERING OLIGOPEPTIDES, PHOSPHONATES AND MODIFIED AMINO ACIDS AS INHIBITORS BERLEX LABORATORIES, INC. (US) 1996-04-02 — — US disclosed
WO-1993011154-A1 INHIBITORS OF THE CONVERSION OF BIG ENDOTHELIN TO ENDOTHELIN BERLEX LABORATORIES, INC. (US) 1993-06-10 — — WO disclosed
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