SCHEMBL8624535

SCHEMBL8624535

CCCCCCCC/C=C\CCCCCCCC(N)(OC(C)CC(C)O)OC(C)CC(C)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
FAAH O00519 3/20 0.38
TP53 P04637 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 2/20 0.38
SOAT1 P35610 1/20 0.38
MAPT P10636 3/20 0.37
GMNN O75496 2/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 2/20 0.37
POLB P06746 2/20 0.37
THRB P10828 2/20 0.37
CETP P11597 2/20 0.37
MAPK1 P28482 2/20 0.37
CXCR5 P32302 2/20 0.37
CCR6 P51684 2/20 0.37
BLM P54132 2/20 0.37

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
SCHEMBL8627394 0.91 SMPD1 (0.45) SMPD1MAPTSPHK1
SCHEMBL7235752 0.86 SMPD1 (0.37) SMPD1MEN1KMT2AFAAHTP53
SCHEMBL7228897 0.83 CNR1 (0.39) SMPD1MEN1KMT2AFAAHTP53
SCHEMBL8624543 0.81 FAAH (0.44) MEN1KMT2AFAAHTP53CYP1A2
SCHEMBL8624539 0.76 SOAT1 (0.41) SMPD1MEN1KMT2AFAAHTP53
SCHEMBL8625588 0.76 SMPD1 (0.42) SMPD1MAPTSPHK1
SCHEMBL8626991 0.76 SMPD1 (0.42) SMPD1MAPTSPHK1
SCHEMBL7228670 0.76 SMPD1 (0.42) SMPD1MAPTSPHK1
SCHEMBL8628260 0.76 SMPD1 (0.42) SMPD1MAPTSPHK1
SCHEMBL7235754 0.75 LPAR3 (0.42) MEN1KMT2AFAAHTP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276501-B2 Thickening compositions and thickened aqueous acid solutions AKZO NOBEL NV (NL) 1998-06-17 EP disclosed
EP-0276501-A2 Thickening compositions and thickened aqueous acid solutions Akzo Nobel N.V. (NL) 1988-08-03 EP disclosed