SCHEMBL26461593

SCHEMBL26461593

CCC(C)OCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COC(C)C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ AR P10275 2/20 0.52
▸ KMT2A Q03164 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NR2E1 Q9Y466 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CASR P41180 1/20 0.39
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL19677468 0.92 HTT (0.59) HTTHIF1AARKMT2AKDM4E
SCHEMBL13190989 0.92 HTT (0.66) HTTHIF1AARKMT2AKDM4E
SCHEMBL19677529 0.91 HTT (0.56) HTTHIF1AARKMT2AKDM4E
SCHEMBL22043203 0.86 HTT (0.57) HTTHIF1AARKMT2AKDM4E
SCHEMBL12267326 0.86 HTT (0.59) HTTHIF1AARKMT2AKDM4E
SCHEMBL12267322 0.85 AR (0.72) HTTHIF1AARKMT2AKDM4E
SCHEMBL27378768 0.85 HTT (0.58) HTTHIF1AARKMT2AKDM4E
SCHEMBL22043340 0.85 HTT (0.58) HTTHIF1AARKMT2AKDM4E
SCHEMBL19193322 0.85 HTT (0.58) HTTHIF1AARKMT2AKDM4E
SCHEMBL12267192 0.83 AR (0.61) 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
WO-2023077150-A1 POLYMERS AND NANOPARTICLES FOR INTRAMUSCULAR NUCLEIC ACID DELIVERY THE JOHNS HOPKINS UNIVERSITY (US) 2023-05-04 — — WO disclosed
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