SCHEMBL30728889

SCHEMBL30728889

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.50
MMP2 P08253 1/20 0.50
MMP7 P09237 1/20 0.50
MMP9 P14780 1/20 0.50
MMP12 P39900 1/20 0.50
MMP13 P45452 1/20 0.50
LTA4H P09960 1/20 0.50
BACE1 P56817 1/20 0.48

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
SCHEMBL29531754 1.00 MME (0.50) MMEMMP2MMP7MMP9MMP12
SCHEMBL30517753 0.96 LTA4H (0.53) MMEMMP2MMP7MMP9MMP12
SCHEMBL30034864 0.94 NPY1R (0.53)
SCHEMBL30799848 0.92 OPRM1 (0.54) MMELTA4H
SCHEMBL29798185 0.92 OPRK1 (0.54)
SCHEMBL9617697 0.92 LTA4H (0.55) MMELTA4H
SCHEMBL9617696 0.92 LTA4H (0.55) MMELTA4H
SCHEMBL27691470 0.92 LTA4H (0.55) MMELTA4H
SCHEMBL29705780 0.92 OPRD1 (0.54)
SCHEMBL21794915 0.92 MME (0.50) MME

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-11851694-B1 High fidelity in vitro transcription MODERNATX, INC. (US) 2023-12-26 US disclosed