SCHEMBL8537928

SCHEMBL8537928

Cc1ccc([C@H](NC(=O)[C@@H](CCC(C)C)C(=O)O)C(=O)NC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.47
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
KEAP1 Q14145 7/20 0.39
NFE2L2 Q16236 7/20 0.39
LTA4H P09960 1/20 0.37
ANPEP P15144 1/20 0.37
TXNRD1 Q16881 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
ACHE P22303 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.34
FOLH1 Q04609 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
SCHEMBL8533445 0.73 MMP3 (0.45) POLBCTDSP1
SCHEMBL8534969 0.73 SMN1; SMN2 (0.38) GPR88POLBKEAP1NFE2L2TXNRD1
SCHEMBL8534971 0.70 TXNRD1 (0.39) GPR88POLBKEAP1NFE2L2TXNRD1
SCHEMBL5156721 0.67 POLB (0.50) POLBCTDSP1CNR1CNR2ACHE
SCHEMBL13611896 0.65 GPR88 (0.49) GPR88POLBANPEPSMN1; SMN2
SCHEMBL11266612 0.64 USP2 (0.44) GPR88POLBNPC1RAB9ASMN1; SMN2
SCHEMBL4598036 0.62 CTSK (0.67) GPR88
SCHEMBL4598033 0.62 CTSK (0.67) GPR88
SCHEMBL8513252 0.61 CTSS (0.52) KEAP1NFE2L2
SCHEMBL12195416 0.61 CTSS (0.52) KEAP1NFE2L2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849951-A Synthesis of carboxylic and hydroxamic acid derivatives BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-12-15 US disclosed
EP-0812312-A1 SYNTHESIS OF CARBOXYLIC AND HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-12-17 EP disclosed
WO-1996026918-A1 SYNTHESIS OF CARBOXYLIC AND HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-09-06 WO disclosed