SCHEMBL31319510

SCHEMBL31319510

O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 3/20 0.58
▸ MME P08473 9/20 0.49
▸ ACE P12821 4/20 0.48
▸ CPA1 P15085 4/20 0.48
▸ ACE2 Q9BYF1 4/20 0.48
▸ REN P00797 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL29702042 0.93 CTSC (0.63) CTSCMMEACECPA1ACE2
SCHEMBL29701979 0.93 CTSC (0.63) CTSCMMEACECPA1ACE2
SCHEMBL30546877 0.93 CTSC (0.63) CTSCMMEACECPA1ACE2
SCHEMBL601567 0.91 CTSC (0.68) CTSCMMEACECPA1ACE2
SCHEMBL21808154 0.91 CTSC (0.68) CTSCMMEACECPA1ACE2
SCHEMBL601566 0.91 CTSC (0.68) CTSCMMEACECPA1ACE2
SCHEMBL28122660 0.91 CTSC (0.68) CTSCMMEACECPA1ACE2
SCHEMBL31026629 0.91 CTSC (0.68) CTSCMMEACECPA1ACE2
SCHEMBL28122659 0.91 CTSC (0.68) CTSCMMEACECPA1ACE2
SCHEMBL11187709 0.91 CTSC (0.68) CTSCMMEACECPA1ACE2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025038031-A1 ENGINEERED MITOCHONDRION AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2025-02-20 — — WO claimed
WO-2025038031-A1 ENGINEERED MITOCHONDRION AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2025-02-20 — — WO disclosed
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