SCHEMBL11518690

SCHEMBL11518690

C=C(NC1CCCCC1)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.51
THRB P10828 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL10652333 0.91 SMYD3 (0.44) EPHX1THRBATML3MBTL1ALDH1A1
SCHEMBL11412912 0.84 SMN1; SMN2 (0.57) EPHX1THRBATML3MBTL1NPSR1
SCHEMBL9865762 0.84 SMN1; SMN2 (0.57) EPHX1THRBATML3MBTL1NPSR1
SCHEMBL20827027 0.81 SMN1; SMN2 (0.54) THRBATML3MBTL1NPSR1MMP1
SCHEMBL11307251 0.80 CASP6 (0.51) EPHX1THRBATML3MBTL1NPSR1
SCHEMBL2802318 0.79 EPHX1 (0.60) EPHX1THRBATML3MBTL1NPSR1
SCHEMBL8393517 0.79 EPHX1 (0.60) EPHX1THRBATML3MBTL1NPSR1
SCHEMBL20350198 0.79 EPHX1 (0.60) EPHX1THRBATML3MBTL1NPSR1
SCHEMBL7972232 0.79 THRB (0.46) EPHX1THRBATML3MBTL1NPSR1
Hydrochloric Acid SCHEMBL4535556 0.78 EPHX1 (0.58) EPHX1THRBATML3MBTL1NPSR1

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-4177179-A ACRYLIC COPOLYMER AND EPOXY COMPOUND TOYO SODA MANUFACTURING CO., LTD. (JP) 1979-12-04 US disclosed