SCHEMBL29630690

SCHEMBL29630690

C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 5/20 0.46
▸ NAALAD2 Q9Y3Q0 2/20 0.46
▸ RIMKLA Q8IXN7 1/20 0.46
▸ BACE1 P56817 9/20 0.46
▸ DPP4 P27487 1/20 0.44
▸ DPP8 Q6V1X1 1/20 0.44
▸ DPP9 Q86TI2 1/20 0.44
▸ PTPN1 P18031 1/20 0.42
▸ CTSD P07339 2/20 0.42
▸ NOD1 Q9Y239 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
SCHEMBL30873780 0.95 GNPAT (0.47) FOLH1NAALAD2RIMKLABACE1DPP4
SCHEMBL29591098 0.93 ENPEP (0.46) BACE1DPP4DPP8DPP9PTPN1
SCHEMBL29777858 0.92 DPP4 (0.47) FOLH1NAALAD2RIMKLABACE1DPP4
SCHEMBL29539765 0.91 FOLH1 (0.55) FOLH1NAALAD2RIMKLADPP4DPP8
SCHEMBL29777812 0.90 DPP4 (0.50) FOLH1NAALAD2RIMKLABACE1DPP4
SCHEMBL20764460 0.89 BACE1 (0.51) BACE1PTPN1CTSD
SCHEMBL30974122 0.89 GLO1 (0.43) BACE1PTPN1CTSDNOD1
SCHEMBL30193395 0.88 DPP4 (0.56) FOLH1NAALAD2RIMKLABACE1DPP4
SCHEMBL30659524 0.88 DPP4 (0.56) FOLH1NAALAD2RIMKLABACE1DPP4
SCHEMBL30040249 0.88 FOLH1 (0.51) FOLH1NAALAD2RIMKLADPP4DPP8

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
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 — — US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 — — US disclosed
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