SCHEMBL9636229

SCHEMBL9636229

CC(C)CCCCCOCC(O)CN(CCO)CCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.42
SPHK1 Q9NYA1 1/20 0.40
LPAR5 Q9H1C0 1/20 0.38
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 2/20 0.35
PLA2G2C Q5R387 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NCOA3 Q9Y6Q9 1/20 0.32
MAPK1 P28482 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
SCHEMBL8768781 0.88 USP2 (0.50) USP2ALDH1A1HTTSPHK1LPAR5
SCHEMBL18296270 0.88 ALDH1A1 (0.55) USP2ALDH1A1HTTSPHK1LPAR5
SCHEMBL728014 0.87 USP2 (0.64) USP2ALDH1A1HTTSPHK1LPAR5
SCHEMBL2995939 0.87 USP2 (0.64) USP2ALDH1A1HTTSPHK1LPAR5
SCHEMBL2991718 0.87 USP2 (0.64) USP2ALDH1A1HTTSPHK1LPAR5
SCHEMBL2987001 0.87 USP2 (0.64) USP2ALDH1A1HTTSPHK1LPAR5
SCHEMBL728005 0.87 USP2 (0.64) USP2ALDH1A1HTTSPHK1LPAR5
SCHEMBL26942167 0.84 USP2 (0.60) USP2ALDH1A1HTTSPHK1LPAR5
SCHEMBL757371 0.83 USP2 (0.53) USP2ALDH1A1HTTSPHK1LPAR5
SCHEMBL11219746 0.81 USP2 (0.52) USP2HTTSPHK1LPAR5LMNA

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-0239536-B1 LUBRICANT COMPOSITIONS CIBA-GEIGY AG (CH) 1992-06-24 EP claimed
EP-0239536-B1 LUBRICANT COMPOSITIONS CIBA-GEIGY AG (CH) 1992-06-24 EP disclosed
EP-0239536-A2 Lubricant compositions CIBA-GEIGY AG (CH) 1987-09-30 EP disclosed