SCHEMBL30688463

SCHEMBL30688463

CN[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 2/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ MMP8 P22894 1/20 0.48
▸ MMP14 P50281 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ LTA4H P09960 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ADAMTS5 Q9UNA0 1/20 0.42
▸ MME P08473 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ ACE P12821 1/20 0.42
▸ PAM P19021 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ SLC18A2 Q05940 1/20 0.41

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
SCHEMBL30688530 0.97 MMP9 (0.47) MMP9MMP2MMP8MMP14ALDH1A1
SCHEMBL18603450 0.90 FPR2 (0.51) MMP9MMP2KMT2A
SCHEMBL29540417 0.86 LTA4H (0.51) LTA4HMMEACE
SCHEMBL6319028 0.84 ALDH1A1 (0.49) MMP9MMP2MMP8MMP14ALDH1A1
SCHEMBL6324685 0.84 ALDH1A1 (0.49) MMP9MMP2MMP8MMP14ALDH1A1
SCHEMBL3272745 0.83 ALDH1A1 (0.48) MMP9MMP8MMP14ALDH1A1MAPT
SCHEMBL30522102 0.83 MMP9 (0.46) MMP9MMP2MMP8MMP14LTA4H
SCHEMBL6319141 0.83 MMP9 (0.66) MMP9MMP8MMP14HPGDTAAR1
SCHEMBL7064976 0.83 MMP9 (0.66) MMP9MMP8MMP14HPGDTAAR1
SCHEMBL12225561 0.83 MMP9 (0.66) MMP9MMP8MMP14HPGDTAAR1

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
CN-111164092-B Process for producing peptide compound 日产化学株式会社 2023-12-26 — — CN disclosed
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