SCHEMBL30350136

SCHEMBL30350136

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.56
▸ ECE1 P42892 4/20 0.55
▸ LTA4H P09960 1/20 0.55
▸ MMP2 P08253 2/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ MMP8 P22894 1/20 0.54
▸ MMP1 P03956 1/20 0.54
▸ ERAP2 Q6P179 1/20 0.52
▸ P2RY14 Q15391 1/20 0.52
▸ ALOX15 P16050 1/20 0.52

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
SCHEMBL29895093 1.00 ACE (0.56) ACEECE1LTA4HMMP2MMP9
SCHEMBL30646331 0.91 ERAP2 (0.62) ACEECE1MMP2MMP9MMP8
SCHEMBL30051742 0.90 ACE (0.68) ACEECE1LTA4HERAP2P2RY14
SCHEMBL31571452 0.87 MMP2 (0.58) ACEECE1MMP2MMP9MMP8
SCHEMBL30051248 0.86 LTA4H (0.67) ACEECE1LTA4H
SCHEMBL30052824 0.86 LTA4H (0.67) ACEECE1LTA4H
SCHEMBL1407979 0.85 ALOX15 (0.68) ACEERAP2P2RY14ALOX15
SCHEMBL1407978 0.85 ALOX15 (0.68) ACEERAP2P2RY14ALOX15
SCHEMBL30051539 0.85 ALOX15 (0.68) ACEERAP2P2RY14ALOX15
SCHEMBL30358212 0.85 ACE (0.54) ACEERAP2P2RY14ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122080492-A Phase transfer enrichment function catalyst for preparing 3-hydroxy-propanal by acrolein hydration reaction, preparation method and application thereof — 2026-05-26 — — CN disclosed
EP-4555053-A1 MARINE DIESEL ENGINE LUBRICATING OIL COMPOSITIONS Chevron Oronite Company LLC (US) 2025-05-21 — — EP disclosed
WO-2024015098-A1 MARINE DIESEL ENGINE LUBRICATING OIL COMPOSITIONS CHEVRON ORONITE COMPANY LLC (US) 2024-01-18 — — WO disclosed
CN-115953973-A Array substrate and display device 合肥京东方显示技术有限公司 2023-04-11 — — CN disclosed
CN-115926081-A Organic cage skeleton synthesized based on Yamamoto coupling reaction, preparation method and application in oil-water separation 南开大学 2023-04-07 — — CN disclosed
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