SCHEMBL13899153

SCHEMBL13899153

C=CC(=O)OCCOC(=O)OCCNC(=O)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
NPSR1 Q6W5P4 3/20 0.49
GAA P10253 2/20 0.49
EPHX1 P07099 4/20 0.49
KDM4E B2RXH2 1/20 0.49
EPHX2 P34913 1/20 0.47
FPR2 P25090 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3252507 0.95 NPSR1 (0.53) THRBNPSR1GAAEPHX1KDM4E
SCHEMBL13899143 0.92 NPSR1 (0.51) THRBNPSR1GAAEPHX1KDM4E
SCHEMBL13899369 0.90 NPSR1 (0.52) THRBNPSR1GAAEPHX1KDM4E
SCHEMBL13899144 0.87 THRB (0.50) THRBNPSR1GAAEPHX1KDM4E
SCHEMBL13899225 0.85 NPSR1 (0.60) THRBNPSR1GAAALDH1A1LMNA
SCHEMBL10093589 0.84 CNR1 (0.48) NPSR1GAAEPHX2ALDH1A1LMNA
SCHEMBL13899382 0.83 NPC1 (0.57) THRBNPSR1ALDH1A1LMNATSHR
SCHEMBL18364750 0.83 NPSR1 (0.55) NPSR1GAAEPHX1KDM4EEPHX2
SCHEMBL13899407 0.83 NPSR1 (0.60) THRBNPSR1ALDH1A1LMNAHTT
SCHEMBL4340532 0.83 EPHX2 (0.48) THRBNPSR1GAAEPHX2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498394-B2 (Meth)acrylic and (meth)acrylamide monomers, polymerizable compositions, and polymers obtained THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-03-03 US disclosed
US-7498394-B2 (Meth)acrylic and (meth)acrylamide monomers, polymerizable compositions, and polymers obtained THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-03-03 US disclosed