SCHEMBL7622927

SCHEMBL7622927

O=C(O)CCC(NO)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 2/20 0.47
BCAT1 P54687 1/20 0.42
ACSL1 P33121 2/20 0.41
ACSL6 Q9UKU0 2/20 0.41
TTR P02766 1/20 0.41
MMP12 P39900 3/20 0.40
MMP13 P45452 3/20 0.40
NPY5R Q15761 1/20 0.40
KEAP1 Q14145 1/20 0.40
KMT2A Q03164 1/20 0.39
IDO1 P14902 1/20 0.39
PTGDR Q13258 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4456199 0.86 NPSR1 (0.42) NPSR1LMNABCAT1ACSL1ACSL6
SCHEMBL3147148 0.83 LMNA (0.50) NPSR1LMNABCAT1ACSL1ACSL6
SCHEMBL7622577 0.77 MMP12 (0.44) NPSR1LMNABCAT1TTRMMP12
SCHEMBL26574728 0.74 LMNA (0.52) NPSR1LMNABCAT1TTRMMP12
Furobufen SCHEMBL30901203 0.74 CYP1A2 (0.58) NPSR1LMNABCAT1ACSL1ACSL6
Furobufen SCHEMBL43450 0.74 CYP1A2 (0.58) NPSR1LMNABCAT1ACSL1ACSL6
SCHEMBL8000904 0.72 LMNA (0.47) NPSR1LMNABCAT1TTRMMP12
SCHEMBL11485002 0.71 MMP12 (0.52) LMNAMMP12MMP13NPY5RKMT2A
SCHEMBL30765576 0.70 LMNA (0.41) NPSR1LMNANPY5RKMT2ASMN1; SMN2
SCHEMBL7352062 0.70 MMP12 (0.64) MMP12MMP13KEAP1PTGDR

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-6340709-B1 ADMINISTERING BIPHENYLSULFONAMIDE DERIVATIVE WARNER-LAMBERT COMPANY 2002-01-22 US disclosed