SCHEMBL29630611

SCHEMBL29630611

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

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 12/20 0.50
▸ TASP1 Q9H6P5 1/20 0.49
▸ FOLH1 Q04609 2/20 0.49
▸ CTSD P07339 2/20 0.47
▸ MME P08473 2/20 0.47
▸ BACE2 Q9Y5Z0 2/20 0.47
▸ DPP4 P27487 2/20 0.45
▸ DPP8 Q6V1X1 2/20 0.45
▸ DPP9 Q86TI2 2/20 0.45

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
SCHEMBL29630452 0.94 FOLH1 (0.56) BACE1FOLH1CTSDBACE2DPP4
SCHEMBL29590577 0.94 FOLH1 (0.56) BACE1FOLH1CTSDBACE2DPP4
SCHEMBL29591568 0.93 TASP1 (0.52) BACE1TASP1FOLH1CTSDMME
SCHEMBL30473801 0.93 FOLH1 (0.57) BACE1FOLH1CTSDBACE2DPP4
SCHEMBL29377291 0.89 BACE1 (0.51) BACE1CTSDDPP4DPP8DPP9
SCHEMBL29679534 0.89 FOLH1 (0.56) BACE1FOLH1CTSDBACE2
SCHEMBL29649110 0.89 MME (0.49) BACE1TASP1FOLH1CTSDMME
SCHEMBL29381184 0.89 DPP4 (0.50) BACE1TASP1FOLH1CTSDMME
SCHEMBL30480113 0.89 FOLH1 (0.61) BACE1FOLH1CTSDBACE2DPP4
SCHEMBL30060796 0.89 DPP4 (0.52) BACE1FOLH1CTSDBACE2DPP4

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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