SCHEMBL9799703

SCHEMBL9799703

CCCCCCCCCCCCCCCCCC(=O)OOCC(COOCC(O)CO)OOCC(O)CO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
KDM4E B2RXH2 1/20 0.58
DUSP3 P51452 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
DGKA P23743 1/20 0.51
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
PRKCA P17252 4/20 0.46
PRKCE Q02156 2/20 0.46
PRKCQ Q04759 2/20 0.46
PRKCD Q05655 2/20 0.46
FAAH O00519 2/20 0.43
ALDH1A1 P00352 1/20 0.42
USP2 O75604 1/20 0.42
LPAR6 P43657 1/20 0.40
LPAR1 Q92633 1/20 0.40
LPAR4 Q99677 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40

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
SCHEMBL9396639 0.97 LMNA (0.56) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL9396184 0.97 LMNA (0.56) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL9396118 0.97 LMNA (0.56) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL9396134 0.97 LMNA (0.56) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL8062115 0.95 LMNA (0.58) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL9179173 0.90 LMNA (0.71) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL5936305 0.90 LMNA (0.71) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL1232546 0.90 LMNA (0.71) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL4198660 0.90 LMNA (0.71) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL7655873 0.90 LMNA (0.71) LMNAKDM4EDUSP3MEN1KMT2A

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
EP-0188242-B1 CONCENTRATED AQUEOUS TEXTILE SOFTENER Henkel Kommanditgesellschaft auf Aktien (DE) 1991-03-13 EP claimed
US-4776965-A BLEND OF QUATERNARY AMMONIUM COMPOUND, REACTION PRODUCT OF A FAT AND A HYDROXYALKYL POLYAMINE, FATTY AMINE POLYGLYCOL ETHER, POLYGLYCOL ETHER, FATTY ESTER AND ACID HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1988-10-11 US claimed
US-4776965-A BLEND OF QUATERNARY AMMONIUM COMPOUND, REACTION PRODUCT OF A FAT AND A HYDROXYALKYL POLYAMINE, FATTY AMINE POLYGLYCOL ETHER, POLYGLYCOL ETHER, FATTY ESTER AND ACID HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1988-10-11 US disclosed