SCHEMBL8728841

SCHEMBL8728841

CCCCCOC(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
STS P08842 6/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.48
CNR2 P34972 1/20 0.48

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
SCHEMBL9172557 0.99 LMNA (0.56) LMNATSHRTP53CYP3A4MAPK1
SCHEMBL9321388 0.99 LMNA (0.56) LMNATSHRTP53CYP3A4MAPK1
SCHEMBL8778119 0.99 LMNA (0.56) LMNATSHRTP53CYP3A4MAPK1
SCHEMBL8778093 0.99 LMNA (0.56) LMNATSHRTP53CYP3A4MAPK1
SCHEMBL14107746 0.90 LMNA (0.60) LMNATSHRALDH1A1MAPTTDP1
SCHEMBL4862698 0.83 GLA (0.57) LMNATSHRCYP3A4ALDH1A1MAPT
SCHEMBL10257278 0.83 LMNA (0.57) LMNATSHRTP53CYP3A4MAPK1
SCHEMBL4762178 0.82 ALDH1A1 (0.45) LMNAALDH1A1MAPTTDP1L3MBTL1
SCHEMBL26184983 0.81 LMNA (0.61) LMNATSHRTP53CYP3A4MAPK1
Bromide SCHEMBL7623772 0.80 LMNA (0.63) LMNATSHRTP53CYP3A4MAPK1

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
EP-0875521-A1 A detergent composition UNILEVER PLC (GB) 1998-11-04 EP disclosed