SCHEMBL4433141

SCHEMBL4433141

CC(=O)OC1(CNC(=O)Oc2ccc([N+](=O)[O-])cc2)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.52
THRB P10828 2/20 0.49
TP53 P04637 1/20 0.42
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
HTR2A P28223 1/20 0.41
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 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
SCHEMBL3335231 0.78 MGLL (0.50) MGLLTHRBTP53BCL9CTNNB1
SCHEMBL25381206 0.77 MGLL (0.56) MGLLTHRBTP53BCL9CTNNB1
SCHEMBL22370754 0.75 MGLL (0.47) MGLLTHRBTP53BCL9CTNNB1
SCHEMBL31414907 0.74 MGLL (0.56) MGLLTHRBBCL9CTNNB1GAA
SCHEMBL31414904 0.74 MGLL (0.53) MGLLTHRBTP53BCL9CTNNB1
SCHEMBL29716297 0.73 BCL9 (0.51) MGLLTHRBBCL9CTNNB1LMNA
4-Nitrophenyl Ethylcarbamate SCHEMBL1695035 0.73 MGLL (0.74) MGLLBCL9CTNNB1GAAFAAH
SCHEMBL18703462 0.73 MGLL (0.78) MGLLBCL9CTNNB1GAAFAAH
SCHEMBL27709773 0.72 MGLL (0.54) MGLLTHRBTP53BCL9CTNNB1
SCHEMBL15232603 0.71 MGLL (0.71) MGLLBCL9CTNNB1GAAFAAH

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
CN-101631768-A Novel prodrugs SUN PHARMA ADVANCED RES CO LTD 2010-01-20 CN disclosed
EP-2118052-A2 NOVEL PRODRUGS Sun Pharma Advanced Research Company Ltd (IN) 2009-11-18 EP disclosed
WO-2008111096-A2 NOVEL PRODRUGS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2008-09-18 WO disclosed