SCHEMBL8534971

SCHEMBL8534971

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 2/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 3/20 0.37
GPR88 Q9GZN0 1/20 0.36
TNF P01375 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
ADAM17 P78536 1/20 0.34
POLB P06746 3/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL18386417 0.82 HDAC1 (0.40) TNFMMP1MMP2MMP3ADAM17
SCHEMBL9041460 0.78 LMNA (0.41) SMN1; SMN2POLBKEAP1NFE2L2ALDH1A1
SCHEMBL8534969 0.78 SMN1; SMN2 (0.38) TXNRD1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL8537928 0.70 GPR88 (0.47) TXNRD1RAB9ASMN1; SMN2NPC1HPGD
SCHEMBL1507761 0.68 HPGD (0.49) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL8763317 0.65 CYP2A6 (0.38) SMN1; SMN2GAALMNA
SCHEMBL9152358 0.65 MAPT (0.46) SMN1; SMN2GPR88POLBALDH1A1GAA
SCHEMBL9152364 0.65 MAPT (0.46) SMN1; SMN2GPR88POLBALDH1A1GAA
SCHEMBL15787498 0.64 ROCK2 (0.52) RAB9ANPC1TNFMMP1MMP2
SCHEMBL15787501 0.64 ROCK2 (0.52) RAB9ANPC1TNFMMP1MMP2

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 1 patent. 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