SCHEMBL30096974

SCHEMBL30096974

N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MPO P05164 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ MMP2 P08253 2/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ MMP1 P03956 1/20 0.50
▸ ACE P12821 2/20 0.49
▸ LTA4H P09960 1/20 0.49
▸ ERAP2 Q6P179 1/20 0.47
▸ MME P08473 1/20 0.47
▸ ECE1 P42892 4/20 0.47
▸ GHSR Q92847 1/20 0.46

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
SCHEMBL31016731 0.96 KDM4E (0.52) KDM4EMEN1LMNAMPOMAPT
SCHEMBL31259935 0.94 ACE (0.57) KDM4EMEN1LMNAMPOMAPT
SCHEMBL30671553 0.94 ACE (0.57) KDM4EMEN1LMNAMPOMAPT
SCHEMBL31259936 0.94 ACE (0.57) KDM4EMEN1LMNAMPOMAPT
SCHEMBL31259937 0.94 ACE (0.57) KDM4EMEN1LMNAMPOMAPT
SCHEMBL30059119 0.93 GHSR (0.53) GHSR
SCHEMBL16057308 0.93 KDM4E (0.58) KDM4EMEN1LMNAMPOMAPT
SCHEMBL17274594 0.93 KDM4E (0.58) KDM4EMEN1LMNAMPOMAPT
SCHEMBL29519434 0.93 KDM4E (0.58) KDM4EMEN1LMNAMPOMAPT
SCHEMBL7047253 0.93 KDM4E (0.58) KDM4EMEN1LMNAMPOMAPT

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-110317813-B Portunus trituberculatus C-type lectin PtCLec2 gene, and coding protein and application thereof 中国科学院海洋研究所 2022-12-27 — — CN disclosed
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