SCHEMBL31454156

SCHEMBL31454156

CC(C)[C@H](NC(=O)c1ccccc1C(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.66
▸ ECE1 P42892 12/20 0.64
▸ ITGB2 P05107 2/20 0.60
▸ ICAM1 P05362 2/20 0.60
▸ ITGAL P20701 2/20 0.60
▸ ALOX15 P16050 1/20 0.58

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
SCHEMBL30081478 0.88 ITGB2 (0.74) ACEITGB2ICAM1ITGALALOX15
SCHEMBL25266213 0.85 ACE (0.73) ACEECE1ALOX15
SCHEMBL25196442 0.85 ACE (0.73) ACEECE1ALOX15
SCHEMBL30052301 0.85 ACE (0.69) ACEECE1ALOX15
SCHEMBL9068536 0.84 ACE (0.72) ACEECE1
SCHEMBL30051310 0.84 ACE (0.68) ACEECE1ALOX15
SCHEMBL30051553 0.84 ACE (0.68) ACEECE1ALOX15
SCHEMBL30050967 0.84 ACE (0.68) ACEECE1ALOX15
SCHEMBL11232292 0.83 ACE (0.88) ACEECE1
Hydrochloric Acid SCHEMBL11229707 0.83 ACE (0.67) ACEECE1ALOX15

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-119613485-A Preparation method of dipeptide-2 中原食品实验室 2025-03-14 — — CN disclosed
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