SCHEMBL29630352

SCHEMBL29630352

NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 5/20 0.48
▸ MMP1 P03956 3/20 0.47
▸ FCER2 P06734 2/20 0.47
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ PSMB8 P28062 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ ACE P12821 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ECE1 P42892 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ NPEPPS P55786 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MMP8 P22894 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
SCHEMBL29789610 0.93 CTSL (0.52) MMEMMP1FCER2CTSLCTSB
SCHEMBL29630355 0.91 CHRND (0.47) PTPN1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL7587101 0.90 CTSS (0.54) MMECTSLCTSBCTSSALDH1A1
SCHEMBL30051602 0.90 CTSS (0.54) MMECTSLCTSBCTSSALDH1A1
SCHEMBL1848846 0.90 CTSS (0.54) MMECTSLCTSBCTSSALDH1A1
SCHEMBL29867736 0.88 QRFPR (0.53) MMEMMP1FCER2CTSLCTSB
SCHEMBL31514370 0.88 MME (0.53) MMEPTPN1ALDH1A1ACEECE1
SCHEMBL29591605 0.88 OPRD1 (0.51) MMP1FCER2CTSBALDH1A1QRFPR
SCHEMBL29592620 0.87 OPRD1 (0.48) PTPN1CHRNA1CHRNGCHRNB1CHRND
SCHEMBL30805357 0.87 CTSL (0.51) MMECTSLCTSBCTSSALDH1A1

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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