SCHEMBL30728874

SCHEMBL30728874

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

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.59
MMP2 P08253 1/20 0.59
MMP7 P09237 1/20 0.59
MMP9 P14780 1/20 0.59
MMP12 P39900 1/20 0.59
MMP13 P45452 1/20 0.59
MME P08473 1/20 0.58
BACE1 P56817 8/20 0.58
BACE2 Q9Y5Z0 2/20 0.58
CTSD P07339 1/20 0.56

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
SCHEMBL31325345 0.95 LTA4H (0.62) LTA4HMMP2MMP7MMP9MMP12
SCHEMBL30050978 0.94 LTA4H (0.63) LTA4HMMP2MMP7MMP9MMP12
SCHEMBL31296137 0.93 BACE1 (0.60) LTA4HMMP2MMP7MMP9MMP12
SCHEMBL29679613 0.93 BACE1 (0.60) LTA4HMMP2MMP7MMP9MMP12
SCHEMBL30799786 0.92 BACE1 (0.60) LTA4HMMEBACE1BACE2
SCHEMBL30728879 0.92 BACE1 (0.59) LTA4HMMP2MMP7MMP9MMP12
SCHEMBL30051692 0.91 LTA4H (0.67) LTA4HMMP2MMP7MMP9MMP12
SCHEMBL30799445 0.91 BACE1 (0.61) LTA4HMMEBACE1BACE2
SCHEMBL28786055 0.90 LTA4H (0.62) LTA4HMMEBACE1BACE2CTSD
Leu-Leu SCHEMBL10364547 0.90 LTA4H (0.68) LTA4HMMP2MMP7MMP9MMP12

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