SCHEMBL29165756

SCHEMBL29165756

CC(NC(=O)CC(N)N)C(=O)NC(CC(=O)O)C(=O)NC(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCKAR P32238 1/20 0.36
▸ CCKBR P32239 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ BACE1 P56817 7/20 0.35
▸ GNPAT O15228 1/20 0.34
▸ MME P08473 1/20 0.33
▸ ERAP2 Q6P179 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP7 P09237 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ CASP7 P55210 1/20 0.33

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
SCHEMBL873299 0.93 BACE1 (0.38) BACE1MMP2MMP7MMP9MMP12
SCHEMBL30607941 0.85 BACE1 (0.41) BACE1
SCHEMBL29511114 0.85 BACE1 (0.41) BACE1
SCHEMBL30781162 0.85 SLC6A5 (0.37) CCKARCCKBROPRD1
SCHEMBL29881615 0.84 PTPN1 (0.47) BACE1
SCHEMBL29630564 0.84 SLC15A2 (0.43) MMEMMP2MMP7MMP9MMP12
SCHEMBL31310661 0.84 MME (0.38) BACE1GNPATMME
SCHEMBL29429284 0.84 SLC15A2 (0.40) MMEMMP2MMP7MMP9MMP12
SCHEMBL29510840 0.84 MME (0.38) BACE1GNPATMME
SCHEMBL30799951 0.84 PTPN1 (0.42) CCKARCCKBROPRD1BACE1

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-117355290-A Hair coloring composition for reducing color loss 路博润先进材料公司 2024-01-05 — — CN disclosed
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