SCHEMBL5087609

SCHEMBL5087609

CCCOCCC(Cl)C(=O)Nc1c(CC)cccc1CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.43
NLRP3 Q96P20 2/20 0.41
ANPEP P15144 1/20 0.40
CYP2C19 P33261 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CACNA1C Q13936 2/20 0.38
SCN5A Q14524 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 3/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL9761567 0.80 NLRP3 (0.44) NLRP3ANPEPCYP2C19ALOX15TSHR
SCHEMBL6901572 0.80 TDP1 (0.44) NLRP3ANPEPCYP2C19ALOX15TSHR
SCHEMBL9614032 0.78 ANPEP (0.47) NLRP3ANPEPCYP2C19ALOX15TSHR
SCHEMBL6544554 0.78 ANPEP (0.47) NLRP3ANPEPCYP2C19ALOX15TSHR
SCHEMBL11143197 0.78 CACNA1C (0.43) NLRP3ANPEPCYP2C19ALOX15TSHR
SCHEMBL10413256 0.77 ATM (0.48) NLRP3ANPEPCYP2C19ALOX15ALDH1A1
SCHEMBL10623411 0.76 MAPK1 (0.34) ALDH1A1TAS1R3TAS1R1KMT2AHTT
SCHEMBL6902097 0.75 ANPEP (0.52) NLRP3ANPEPCYP2C19ALOX15TSHR
SCHEMBL10959622 0.74 NLRP3 (0.58) NLRP3ANPEPCYP2C19ALOX15TSHR
SCHEMBL9845475 0.73 ALDH1A1 (0.41) NLRP3ANPEPCYP2C19ALOX15TSHR

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
WO-2008006456-A1 HERBICIDAL COMPOSITION SYNGENTA PARTICIPATIONS AG (CH) 2008-01-17 WO disclosed