SCHEMBL7171799

SCHEMBL7171799

CCCCCCCCCCCCCCCCCC(=O)OC(C)(OC(=O)CCCCCCCCCCCCCCCCC)N(C)CCO.COOS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 2/20 0.38
▸ DGKA P23743 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ KDM5A P29375 2/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ POLA1 P09884 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PAM P19021 2/20 0.32
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL5153432 0.87 DNM1 (0.47) DNM1DGKAMAPTMAPK1KDM5A
SCHEMBL6857401 0.86 DNM1 (0.39) DNM1DGKAMAPTMAPK1CA12
Hydrochloric Acid SCHEMBL7213485 0.86 DNM1 (0.46) DNM1DGKAMAPTMAPK1KDM5A
SCHEMBL7169576 0.81 MEN1 (0.31) MAPTCA12CA2CA7CA9
SCHEMBL7171801 0.81 MAPT (0.39) DNM1DGKAMAPTMAPK1CA12
SCHEMBL6031181 0.76 DGKA (0.41) DGKAPRKCACNR2
Sulfuric Acid SCHEMBL29112174 0.75 DNM1 (0.45) DNM1DGKAMAPTMAPK1CA12
SCHEMBL7219610 0.74 FAAH (0.38) DNM1CA12CA2CA7CA9
SCHEMBL313800 0.74 FAAH (0.38) DNM1CA12CA2CA7CA9
SCHEMBL28395367 0.72 MAPT (0.41) DNM1DGKAMAPTMAPK1CA12

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
US-6569414-B1 Panthenol and nicotinic acid amide; lipid-soluble ester alcohol or ester polyol by reacting an epoxy fatty acid ester with a mono- or polyhydric alcohol HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-05-27 — — US disclosed
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