SCHEMBL9576255

SCHEMBL9576255

O=C(O)/C=C/C(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
MEN1 O00255 1/20 0.30
MITF O75030 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NLRP1 Q9C000 1/20 0.30
GPR55 Q9Y2T6 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
SCHEMBL8733109 0.76 HCAR2 (0.37) HTTSMN1; SMN2NPC1GAAGRM2
SCHEMBL8733112 0.76 HCAR2 (0.37) HTTSMN1; SMN2NPC1GAAGRM2
SCHEMBL9719163 0.75 HCAR2 (0.43) TP53
SCHEMBL9576264 0.75 HTT (0.32) HTTSMN1; SMN2NPC1GAA
SCHEMBL9576296 0.73 HCAR2 (0.42)
SCHEMBL9576157 0.73 HCAR2 (0.37)
SCHEMBL9576355 0.71 HCAR2 (0.40)
SCHEMBL5704591 0.71 HCAR2 (0.39) LMNATP53KMT2A
SCHEMBL9576349 0.70 HCAR2 (0.42) TP53MAPT
SCHEMBL9576215 0.69 HCAR2 (0.48)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219884-B1 HARD CONTACT LENS MATERIAL Tomei Sangyo Kabushiki Kaisha (JP) 1993-09-29 EP disclosed
US-5142009-A Crosslinked blend of fumaric acid diesters TOMEI SANGYO KABUSHIKI KAISHA (JP) 1992-08-25 US disclosed
US-4868260-A OXYGEN PERMEABILITY TOMEI SANGYO KABUSHIKI KAISHA (JP) 1989-09-19 US disclosed
EP-0219884-A2 Hard contact lens material Tomei Sangyo Kabushiki Kaisha (JP) 1987-04-29 EP disclosed