SCHEMBL18400613

SCHEMBL18400613

O=C(c1ccc(O)c(C(O)(C(F)(F)F)C(F)(F)F)c1)c1ccc(O)c(C(O)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.43
SIRT1 Q96EB6 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
KCNJ11 Q14654 3/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ8 Q15842 1/20 0.40
HSP90AB1 P08238 2/20 0.38
HSP90B1 P14625 1/20 0.37
HSD17B1 P14061 4/20 0.37
HSD17B2 P37059 4/20 0.37
P4HB P07237 2/20 0.37
SRD5A2 P31213 1/20 0.37
HSD17B14 Q9BPX1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MLYCD O95822 1/20 0.36
RORC P51449 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
SCHEMBL18400610 0.93 HTT (0.48) HSP90AA1SIRT1KCNJ11ABCC9ABCC8
SCHEMBL18399446 0.82 HSP90AA1 (0.60) HSP90AA1SIRT1SLC22A6SLC22A8KCNJ11
SCHEMBL10036671 0.80 SMN1; SMN2 (0.59) SRD5A2SMN1; SMN2MLYCDRORC
SCHEMBL15582361 0.79 HSP90AA1 (0.38) HSP90AA1KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL18399458 0.77 HSP90AA1 (0.55) HSP90AA1SIRT1SLC22A6SLC22A8KCNJ11
SCHEMBL2510505 0.76 HSD17B10 (0.54) HSP90AA1KCNJ11HSD17B1HSD17B2SMN1; SMN2
SCHEMBL18400621 0.76 HSD17B1 (0.46) HSD17B1HSD17B2SMN1; SMN2
SCHEMBL10036537 0.75 SMN1; SMN2 (0.53) KCNJ11ABCC9ABCC8KCNJ8SRD5A2
SCHEMBL8586619 0.75 MEN1 (0.58) SMN1; SMN2MLYCDRORC
SCHEMBL8175719 0.74 KDR (0.49) HSD17B1HSD17B2P4HBSRD5A2

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-20170088666-A1 Fluorine-Containing Polymerizable Monomer and Polymer Compound Using Same CENTRAL GLASS COMPANY, LIMITED (JP) 2017-03-30 US disclosed
US-9550711-B2 Fluorine-containing polymerizable monomer and polymer compound using same CENTRAL GLASS COMPANY, LIMITED (JP) 2017-01-24 US disclosed