SCHEMBL10344338

SCHEMBL10344338

COC(=O)OC1CCCC(OC(=O)OC)CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
NAAA Q02083 2/20 0.38
HTT P42858 2/20 0.36
CYP19A1 P11511 1/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CYP2C19 P33261 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34

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
SCHEMBL698655 1.00
SCHEMBL305953 0.95 EPHX1 (0.50) EPHX1NAAAHTTCYP19A1TSHR
SCHEMBL11589164 0.93 EPHX1 (0.53) EPHX1NAAAHTTCYP19A1TSHR
SCHEMBL188023 0.93 EPHX1 (0.53) EPHX1NAAAHTTCYP19A1TSHR
SCHEMBL10598881 0.93 EPHX1 (0.53) EPHX1NAAAHTTCYP19A1TSHR
SCHEMBL11591329 0.93 EPHX1 (0.53) EPHX1NAAAHTTCYP19A1TSHR
SCHEMBL873000 0.93 EPHX1 (0.53) EPHX1NAAAHTTCYP19A1TSHR
SCHEMBL8582705 0.93 EPHX1 (0.53) EPHX1NAAAHTTCYP19A1TSHR
SCHEMBL11593674 0.93 EPHX1 (0.53) EPHX1NAAAHTTCYP19A1TSHR
SCHEMBL1078770 0.91 SERPINE1 (0.42) EPHX1NAAATSHRALDH1A1DPP4

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-2012096404-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-19 WO disclosed