SCHEMBL29531178

SCHEMBL29531178

CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](N)CO)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 10/20 0.71
▸ IL1RN P18510 9/20 0.60
▸ ERAP1 Q9NZ08 5/20 0.60
▸ ECE1 P42892 5/20 0.59
▸ MMP1 P03956 2/20 0.56
▸ MMP2 P08253 2/20 0.56
▸ MMP9 P14780 1/20 0.56
▸ MMP8 P22894 1/20 0.56
▸ ACE P12821 1/20 0.56

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
SCHEMBL30839328 0.93 ERAP2 (0.73) ERAP2IL1RNERAP1ECE1MMP1
SCHEMBL31575706 0.93 ERAP2 (0.62) ERAP2IL1RNERAP1ECE1ACE
SCHEMBL31134794 0.92 ERAP2 (0.77) ERAP2IL1RNERAP1ECE1MMP1
SCHEMBL29815684 0.91 ERAP2 (0.76) ERAP2IL1RNERAP1ECE1MMP1
SCHEMBL30123123 0.91 ERAP2 (0.76) ERAP2IL1RNERAP1ECE1MMP1
SCHEMBL31388803 0.90 ERAP2 (0.72) ERAP2IL1RNERAP1ECE1MMP1
SCHEMBL9842926 0.90 ERAP2 (0.68) ERAP2IL1RNERAP1ECE1
SCHEMBL29470162 0.90 ERAP2 (0.71) ERAP2IL1RNERAP1ECE1ACE
SCHEMBL29470163 0.90 ERAP2 (0.71) ERAP2IL1RNERAP1ECE1ACE
SCHEMBL31720529 0.90 ERAP2 (0.74) ERAP2IL1RNERAP1ECE1MMP1

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
EP-4229211-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI International (US) 2023-08-23 — — EP disclosed
WO-2022082006-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2022-04-21 — — WO disclosed
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