SCHEMBL31474490

SCHEMBL31474490

C[C@@H](O)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.52
▸ GNPAT O15228 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ ACE P12821 1/20 0.46
▸ CPA1 P15085 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ LTA4H P09960 2/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP7 P09237 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP12 P39900 1/20 0.45
▸ MMP13 P45452 1/20 0.45

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
SCHEMBL31094623 0.95 MME (0.49) MMEACECPA1ACE2MMP2
SCHEMBL29860229 0.95 MME (0.47) MMEOPRM1OPRD1
SCHEMBL31126250 0.91 MME (0.55) MMEACECPA1ACE2
SCHEMBL30400950 0.91 MME (0.53) MMEACECPA1ACE2MMP2
SCHEMBL30578579 0.89 BACE1 (0.51) —
SCHEMBL31500682 0.88 ENPEP (0.54) MMEOPRM1OPRD1ACECPA1
SCHEMBL30735528 0.88 MME (0.57) MMEGNPATACECPA1ACE2
SCHEMBL30197558 0.88 BACE1 (0.48) OPRM1OPRD1
SCHEMBL30785953 0.88 OPRM1 (0.56) MMEOPRM1OPRD1ACECPA1
SCHEMBL29860725 0.87 OPRM1 (0.53) MMEOPRM1OPRD1ACE

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
CN-119827684-A Beijing white pear origin identification method based on metabonomics technology 北京市农林科学院 2025-04-15 — — CN disclosed
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