SCHEMBL29429568

SCHEMBL29429568

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

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.67
▸ ECE1 P42892 12/20 0.62
▸ ERAP2 Q6P179 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ MPO P05164 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ PMP22 Q01453 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ HIF1A Q16665 1/20 0.59

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
SCHEMBL29384048 0.94 ACE (0.59) ACEECE1ERAP2KDM4EMEN1
SCHEMBL31039952 0.94 ACE (0.64) ACEECE1ERAP2ALOX15
SCHEMBL30050967 0.93 ACE (0.68) ACEECE1ALOX15KDM4EMEN1
SCHEMBL30724706 0.92 ACE (0.62) ACEECE1ERAP2
SCHEMBL29750422 0.92 ACE (0.67) ACEECE1ERAP2ALOX15
SCHEMBL30121605 0.91 ERAP2 (0.67) ACEECE1ERAP2ALOX15
SCHEMBL30093080 0.91 ACE (0.66) ACEECE1ERAP2ALOX15KDM4E
SCHEMBL30093097 0.91 ACE (0.66) ACEECE1ERAP2ALOX15KDM4E
SCHEMBL31454970 0.91 KDM4E (0.60) ACEECE1ALOX15KDM4EMEN1
SCHEMBL21641797 0.91 KDM4E (0.65) ACEECE1ALOX15KDM4EMEN1

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-108350046-B Analogs of VDAC 1-derived peptides 在本-古里安大学的B.G.内盖夫科技与应用有限公司 2022-04-01 — — CN disclosed
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