SCHEMBL31651396

SCHEMBL31651396

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 2/20 0.61
▸ MME P08473 4/20 0.55
▸ CTSS P25774 1/20 0.55
▸ CTSK P43235 1/20 0.55
▸ PAM P19021 1/20 0.52
▸ ACE P12821 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ NAALAD2 Q9Y3Q0 1/20 0.48
▸ MMP1 P03956 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ CPA1 P15085 1/20 0.47
▸ ACE2 Q9BYF1 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
SCHEMBL30799905 0.92 GNPAT (0.67) GNPATMMECTSSCTSKPAM
SCHEMBL17732678 0.92 GNPAT (0.67) GNPATMMECTSSCTSKPAM
SCHEMBL7437335 0.92 GNPAT (0.63) GNPATMMECTSSCTSKPAM
SCHEMBL30533197 0.92 GNPAT (0.67) GNPATMMECTSSCTSKPAM
SCHEMBL25626304 0.88 ACE (0.60) GNPATMMECTSSCTSKACE
SCHEMBL30799536 0.87 LTA4H (0.64) GNPATMMECTSSCTSKPAM
SCHEMBL17192787 0.86 GNPAT (0.64) GNPATMMECTSSCTSKPAM
SCHEMBL1081111 0.86 GNPAT (0.73) GNPATMMECTSSCTSKPAM
SCHEMBL6677690 0.86 GNPAT (0.73) GNPATMMECTSSCTSKPAM
SCHEMBL5692056 0.86 GNPAT (0.73) GNPATMMECTSSCTSKPAM

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
EP-3628046-B1 SUBTILISIN VARIANTS HAVING A MUTATION IN THE S2 OR S2' POCKET FRESENIUS KABI IPSUM S R L (IT) 2025-07-02 — — EP disclosed
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