SCHEMBL29630669

SCHEMBL29630669

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 9/20 0.47
▸ PDCD1LG2 Q9BQ51 1/20 0.46
▸ CD274 Q9NZQ7 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ SIRT5 Q9NXA8 1/20 0.42
▸ NMT2 O60551 1/20 0.42
▸ NMT1 P30419 1/20 0.42

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
SCHEMBL29591176 0.93 FURIN (0.46) FURINSIRT2SIRT5NMT2NMT1
SCHEMBL30932140 0.90 FOLH1 (0.49) FURINPDCD1LG2CD274SIRT2SIRT5
SCHEMBL31668833 0.89 FURIN (0.43) FURINPDCD1LG2CD274NMT2NMT1
SCHEMBL30562622 0.89 FOLH1 (0.46) FURINNMT2NMT1
SCHEMBL29377497 0.88 FURIN (0.45) FURINSIRT2SIRT5NMT2NMT1
SCHEMBL29530892 0.88 FURIN (0.46) FURINSIRT2SIRT5NMT2NMT1
SCHEMBL30445302 0.88 NMT1 (0.47) FURINNMT2NMT1
SCHEMBL38657332 0.88 GSR (0.46) FURINNMT2NMT1
SCHEMBL31593274 0.88 FURIN (0.47) FURINSIRT2SIRT5NMT2NMT1
SCHEMBL29591503 0.87 NMT1 (0.49) FURINNMT2NMT1

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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