SCHEMBL22193643

SCHEMBL22193643

C=C(C)COCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COC(O)C(=C)C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
HIF1A Q16665 1/20 0.52
AR P10275 2/20 0.48
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
MITF O75030 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL15348 0.92 HTT (0.56) HTTHIF1AARKMT2AKDM4E
Ether SCHEMBL6535226 0.88 HTT (0.51) HTTHIF1AARKMT2AKDM4E
SCHEMBL5187575 0.85 HTT (0.46) HTTHIF1AARKMT2AKDM4E
SCHEMBL4625642 0.82 HTT (0.54) HTTHIF1AARKMT2AKDM4E
SCHEMBL5492054 0.81 HTT (0.43) HTTHIF1AARKMT2AKDM4E
SCHEMBL24152912 0.81 HTT (0.50) HTTHIF1AARKMT2AKDM4E
SCHEMBL7907428 0.79 AR (0.44) HTTHIF1AARKMT2AKDM4E
SCHEMBL10396172 0.79 MAPT (0.42) HTTHIF1AARKMT2AMEN1
SCHEMBL7934497 0.77 LMNA (0.53) HTTHIF1AKDM4EMAPTPOLB
SCHEMBL10888516 0.77 HTT (0.56) HTTHIF1AARKMT2AKDM4E

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
EP-3677650-A1 INK COMPOSITION, METHOD FOR PRODUCING SAME, AND IMAGE FORMING METHOD FUJIFILM Corporation (JP) 2020-07-08 EP disclosed