SCHEMBL8973692

SCHEMBL8973692

C=C(C)C(=O)OC1CCCCC1.CC1(C)CCCC(C)(C)N1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
EPHX1 P07099 2/20 0.35
TDP1 Q9NUW8 1/20 0.33
NAAA Q02083 2/20 0.33
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 2/20 0.32
MAPK1 P28482 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK10 P53779 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 2/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
MMP12 P39900 1/20 0.30

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
SCHEMBL18823066 0.83 EPHX1 (0.46) CYP2C19EPHX1NAAAALDH1A1HTT
SCHEMBL16297135 0.83 EPHX1 (0.46) CYP2C19EPHX1NAAAALDH1A1HTT
SCHEMBL1052594 0.83 EPHX1 (0.46) CYP2C19EPHX1NAAAALDH1A1HTT
SCHEMBL28878275 0.83 EPHX1 (0.46) CYP2C19EPHX1NAAAALDH1A1HTT
SCHEMBL439354 0.83 EPHX1 (0.46) CYP2C19EPHX1NAAAALDH1A1HTT
SCHEMBL22480 0.83 EPHX1 (0.46) CYP2C19EPHX1NAAAALDH1A1HTT
SCHEMBL18822970 0.83 EPHX1 (0.46) CYP2C19EPHX1NAAAALDH1A1HTT
SCHEMBL440149 0.83 EPHX1 (0.46) CYP2C19EPHX1NAAAALDH1A1HTT
SCHEMBL887989 0.83 EPHX1 (0.46) CYP2C19EPHX1NAAAALDH1A1HTT
SCHEMBL2201867 0.83 EPHX1 (0.46) CYP2C19EPHX1NAAAALDH1A1HTT

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-5534579-A PAINTS, ACRYLIC MONOMER CONTAINING PIPERIDINE GROUP, CARBOXYLIC ACID CONTAINING EMULSIFIER, REACTION BETWEEN EMULSIFIER AND EMULSION POLYMER NIPPON SHOKUBAI CO., LTD. (JP) 1996-07-09 US disclosed