SCHEMBL20362124

SCHEMBL20362124

N=C(N)NCCCCCC(=O)O.O=C(NCCCO)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.67
TGM2 P21980 1/20 0.54
PTGER4 P35408 3/20 0.52
FOLH1 Q04609 6/20 0.52
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.46
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
DPP8 Q6V1X1 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL21171925 0.88 HTT (0.67) HTTTGM2FOLH1KEAP1NFE2L2
SCHEMBL3694316 0.87 HTT (0.88) HTTTGM2PTGER4FOLH1KEAP1
SCHEMBL125577 0.87 HTT (0.88) HTTTGM2PTGER4FOLH1KEAP1
SCHEMBL3693087 0.87 HTT (0.88) HTTTGM2PTGER4FOLH1KEAP1
SCHEMBL4857273 0.87 HTT (0.88) HTTTGM2PTGER4FOLH1KEAP1
SCHEMBL3287016 0.87 HTT (0.88) HTTTGM2PTGER4FOLH1KEAP1
SCHEMBL2876850 0.87 HTT (0.88) HTTTGM2PTGER4FOLH1KEAP1
SCHEMBL4858734 0.87 HTT (0.88) HTTTGM2PTGER4FOLH1KEAP1
SCHEMBL2875581 0.87 HTT (0.88) HTTTGM2PTGER4FOLH1KEAP1
SCHEMBL8674198 0.87 HTT (0.88) HTTTGM2PTGER4FOLH1KEAP1

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-2018129203-A2 METHOD FOR TEMPORAL AND TISSUE-SPECIFIC DRUG DELIVERY AND INDUCED NUCLEIC ACID RECOMBINATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-12 WO disclosed