SCHEMBL7171801

SCHEMBL7171801

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 4/20 0.38
▸ DNM1 Q05193 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ DUSP3 P51452 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ DGKA P23743 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
▸ POLB P06746 1/20 0.33
▸ POLA1 P09884 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PAM P19021 2/20 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
SCHEMBL6031181 0.94 DGKA (0.41) DGKA
SCHEMBL28504652 0.91 MAPT (0.41) MAPTLMNADNM1KDM4EDUSP3
SCHEMBL28395367 0.91 MAPT (0.41) MAPTLMNADNM1KDM4EDUSP3
Sulfuric Acid SCHEMBL29140986 0.90 MAPT (0.44) MAPTLMNADNM1KDM4EDUSP3
SCHEMBL6857401 0.86 DNM1 (0.39) MAPTLMNADNM1KDM4EDUSP3
Hydrochloric Acid SCHEMBL7213491 0.86 MAPT (0.47) MAPTLMNADNM1KDM4EDUSP3
SCHEMBL7171799 0.81 DNM1 (0.38) MAPTLMNADNM1KDM4EDUSP3
Sulfuric Acid SCHEMBL29112174 0.75 DNM1 (0.45) MAPTLMNADNM1KDM4EDUSP3
SCHEMBL28608284 0.74 FAAH (0.38) MAPTLMNAMEN1KMT2ACA12
SCHEMBL29005882 0.74 FAAH (0.38) MAPTLMNAMEN1KMT2ACA12

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
Send feedback