SCHEMBL21189808

SCHEMBL21189808

CCC(COC(=O)c1cc(O)c(F)c(O)c1)(COC(=O)c1cc(O)c(F)c(F)c1)COC(=O)c1cc(F)c(F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 5/20 0.50
ESR1 P03372 2/20 0.42
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
PTPN11 Q06124 1/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TYR P14679 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL19934573 0.91 MAPK1 (0.47) SERPINE1ESR1MAPK1HIF1AAKR1C4
SCHEMBL21234569 0.84 SERPINE1 (0.70) SERPINE1ESR1MAPK1HIF1AAKR1C4
SCHEMBL18746620 0.81 SERPINE1 (0.70) SERPINE1ESR1MAPK1HIF1AAKR1C4
SCHEMBL5364253 0.81 CA12 (0.58) SERPINE1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL16055405 0.75 CA12 (0.63) SERPINE1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL9250812 0.74 CES2 (0.47) SERPINE1MAPK1HIF1ACA12CA1
SCHEMBL23484207 0.73 SERPINE1 (0.73) SERPINE1ESR1MAPK1HIF1AAKR1C4
SCHEMBL1999331 0.73 CA12 (0.60) ESR1PTPN11CA12CA1CA2
SCHEMBL5367737 0.71 SERPINE1 (0.44) SERPINE1ESR1PTPN11CA12CA1
SCHEMBL2612550 0.70 SMN1; SMN2 (0.48) SERPINE1MAPK1HIF1AL3MBTL1KDM4E

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-20190225774-A1 MODIFIER FOR RESIN, AND RESIN COMPOSITION USING SAME ADEKA CORPORATION (JP) 2019-07-25 US disclosed