SCHEMBL21289601

SCHEMBL21289601

CCC(NC(=O)C(NC)C(C)C)C(=O)NC(C)CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 2/20 0.34
▸ BIRC2 Q13490 1/20 0.34
▸ MMP2 P08253 2/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ MMP8 P22894 2/20 0.33
▸ LONP1 P36776 1/20 0.33
▸ MMP1 P03956 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
SCHEMBL18048550 0.82 MMP2 (0.37) MMP2MMP9MMP8MMP1
SCHEMBL18048549 0.82 MMP2 (0.37) MMP2MMP9MMP8MMP1
SCHEMBL17305539 0.78 ALDH1A1 (0.53) —
SCHEMBL28195728 0.77 ECE1 (0.40) —
SCHEMBL17305530 0.77 ALDH1A1 (0.56) —
SCHEMBL23901487 0.77 ALDH1A1 (0.56) —
SCHEMBL22753299 0.75 ALDH1A1 (0.46) —
SCHEMBL8217798 0.75 CTSD (0.31) CTSD
SCHEMBL25264872 0.74 PDF (0.35) BIRC2MMP9MMP8
SCHEMBL13855734 0.73 CAPN1 (0.38) MMP2MMP9MMP8LONP1

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
US-20190254318-A1 FLAVOR COMPOSITION AND EDIBLE COMPOSITIONS CONTAINING SAME MARS, INCORPORATED (US) 2019-08-22 — — US disclosed
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