SCHEMBL29871022

SCHEMBL29871022

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 1/20 0.40
▸ ERAP2 Q6P179 1/20 0.38
▸ FOLH1 Q04609 6/20 0.38
▸ NAALAD2 Q9Y3Q0 4/20 0.38
▸ RIMKLA Q8IXN7 1/20 0.38
▸ SLC15A2 Q16348 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MME P08473 1/20 0.35
▸ ECE1 P42892 1/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL30561495 0.96 ERAP2 (0.40) NOD1ERAP2FOLH1NAALAD2
SCHEMBL31113634 0.91 CTRB1 (0.36) NOD1SLC15A2MME
SCHEMBL30692040 0.90 NAALAD2 (0.38) ERAP2FOLH1NAALAD2RIMKLASLC15A2
SCHEMBL29842532 0.90 NAALAD2 (0.38) FOLH1NAALAD2RIMKLASLC15A2HPGD
SCHEMBL31757514 0.89 BACE1 (0.39) FOLH1NAALAD2RIMKLASLC15A2HPGD
SCHEMBL31757519 0.89 NAALAD2 (0.38) ERAP2FOLH1NAALAD2RIMKLASLC15A2
SCHEMBL38651064 0.89 NAALAD2 (0.38) ERAP2FOLH1NAALAD2RIMKLASLC15A2
SCHEMBL31757521 0.89 NAALAD2 (0.38) ERAP2FOLH1NAALAD2RIMKLASLC15A2
SCHEMBL29871340 0.89 MME (0.39) MME
SCHEMBL17293240 0.88 CTRB1 (0.37) NOD1MME

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
CN-114945579-B Heme derivative and preparation method and application thereof 吉林省澳宇生物科技有限公司 2025-01-21 — — CN disclosed
CN-114945579-A Heme derivatives, their preparation and use 吉林省澳宇生物科技有限公司 2022-08-26 — — CN disclosed
Send feedback