SCHEMBL29531641

SCHEMBL29531641

NCCCC[C@@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.58
▸ ERAP2 Q6P179 1/20 0.54
▸ LNPEP Q9UIQ6 1/20 0.54
▸ PSMB1 P20618 1/20 0.49
▸ PSMB8 P28062 1/20 0.49
▸ PSMB9 P28065 1/20 0.49
▸ PSMB5 P28074 1/20 0.49
▸ PSMB10 P40306 1/20 0.49
▸ PSMB2 P49721 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ MMP1 P03956 1/20 0.48
▸ MMP3 P08254 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ CTSC P53634 1/20 0.47
▸ TLR2 O60603 1/20 0.47

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
SCHEMBL29590137 1.00 MMP2 (0.58) MMP2ERAP2LNPEPPSMB1PSMB8
SCHEMBL30434967 0.93 MMP2 (0.51) MMP2ERAP2LNPEPPSMB1PSMB8
SCHEMBL7872647 0.91 OPRD1 (0.56) MMP2OPRK1
SCHEMBL7872640 0.91 OPRD1 (0.56) MMP2OPRK1
SCHEMBL31253360 0.91 LNPEP (0.56) MMP2ERAP2LNPEPOPRK1
SCHEMBL29424183 0.91 MMP2 (0.61) MMP2ERAP2LNPEPOPRK1
SCHEMBL30478748 0.89 MMP2 (0.55) MMP2OPRK1
SCHEMBL13167829 0.88 MMP2 (0.53) MMP2ERAP2LNPEPPSMB1PSMB8
SCHEMBL29403606 0.86 SLC15A1 (0.54) OPRK1CTSC
SCHEMBL29630365 0.86 ERAP2 (0.62) MMP2ERAP2LNPEPOPRK1CTSC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230393140-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2023-12-07 — — US disclosed
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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