SCHEMBL29630736

SCHEMBL29630736

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.39
PRCP P42785 2/20 0.38
HDAC3 O15379 6/20 0.38
HDAC11 Q96DB2 6/20 0.38
HDAC6 Q9UBN7 6/20 0.38
HDAC1 Q13547 5/20 0.38
HDAC2 Q92769 5/20 0.38
HDAC10 Q969S8 5/20 0.38
HDAC8 Q9BY41 5/20 0.38
NCOR2 Q9Y618 1/20 0.38
FURIN P09958 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TERT O14746 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL29548137 0.96 PRCP (0.41) KEAP1PRCPHDAC3HDAC11HDAC6
SCHEMBL29924267 0.96 PRCP (0.41) KEAP1PRCPHDAC3HDAC11HDAC6
SCHEMBL30974174 0.90 KDM1A (0.38) KEAP1PRCPHDAC3HDAC11HDAC6
SCHEMBL30938813 0.90 GHSR (0.40) KEAP1PRCPHDAC3HDAC11HDAC6
SCHEMBL6547215 0.89 PRCP (0.42) KEAP1PRCPHDAC3HDAC11HDAC6
SCHEMBL11174438 0.89 PRCP (0.42) KEAP1PRCPHDAC3HDAC11HDAC6
SCHEMBL11657213 0.89 PRCP (0.42) KEAP1PRCPHDAC3HDAC11HDAC6
SCHEMBL29980620 0.89 PRCP (0.39) KEAP1PRCPFURINDPP7MAPK8
SCHEMBL30808875 0.88 KEAP1 (0.44) KEAP1PRCPHDAC3HDAC11HDAC6
SCHEMBL29489137 0.88 KEAP1 (0.39) KEAP1PRCPHDAC3HDAC11HDAC6

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