SCHEMBL30728879

SCHEMBL30728879

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

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.59
MME P08473 2/20 0.58
LTA4H P09960 1/20 0.58
MMP2 P08253 1/20 0.58
MMP7 P09237 1/20 0.58
MMP9 P14780 1/20 0.58
MMP12 P39900 1/20 0.58
MMP13 P45452 1/20 0.58
ACE P12821 1/20 0.55

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
SCHEMBL30385698 0.97 BACE1 (0.61) BACE1MMELTA4HMMP2MMP7
SCHEMBL30065621 0.94 NPY4R (0.64) BACE1MMEACE
SCHEMBL29629126 0.93 BACE1 (0.58) BACE1MMELTA4H
SCHEMBL29658147 0.93 BACE1 (0.61) BACE1MMP2MMP7MMP9MMP12
SCHEMBL30463289 0.93 BACE1 (0.61) BACE1MMP2MMP7MMP9MMP12
SCHEMBL30050978 0.93 LTA4H (0.63) MMELTA4HMMP2MMP7MMP9
SCHEMBL30728874 0.92 LTA4H (0.59) BACE1MMELTA4HMMP2MMP7
SCHEMBL30799747 0.91 BACE1 (0.61) BACE1MME
SCHEMBL30386347 0.91 BACE1 (0.60) BACE1MMELTA4HMMP2MMP7
SCHEMBL30456323 0.91 BACE1 (0.57) BACE1MMELTA4HMMP2MMP7

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