SCHEMBL7863455

SCHEMBL7863455

NCCCCCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
TGM2 P21980 1/20 0.68
LMNA P02545 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
KEAP1 Q14145 2/20 0.61
NFE2L2 Q16236 2/20 0.61
CPB1 P15086 1/20 0.58
CPB2 Q96IY4 1/20 0.58
DPP8 Q6V1X1 1/20 0.55
DPP7 Q9UHL4 1/20 0.55
FOLH1 Q04609 2/20 0.54
SIRT2 Q8IXJ6 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
SLC1A3 P43003 1/20 0.53
SLC1A1 P43005 1/20 0.53
ANPEP P15144 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ITGB3 P05106 3/20 0.52
ITGA2B P08514 3/20 0.52

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
SCHEMBL4363476 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL235394 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL2076614 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL29040497 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL29040501 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL19240717 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL3049211 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
Hydrochloric Acid SCHEMBL5279548 0.98 HTT (0.67) HTTTGM2LMNASMN1; SMN2KEAP1
Hydrochloric Acid SCHEMBL6375520 0.98 HTT (0.67) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL335088 0.98 HTT (0.70) HTTTGM2LMNASMN1; SMN2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018045104-A1 ANTI-PARASITIC COMPOUNDS OHIO STATE INNOVATION FOUNDATION (US) 2018-03-08 WO disclosed
EP-1082963-A1 REMEDIES FOR JOINT DISEASES BOUND TO HYALURONIC ACID CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-03-14 EP disclosed
WO-1999054344-A1 COMPOSITION COMPRISING A COMBINATION OF DERIVATISED CATIONIC LIPOSOMES AND ACTIVE AGENT IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 1999-10-28 WO disclosed