SCHEMBL7159771

SCHEMBL7159771

CCCCCCCCCCCCc1ccc(Oc2ccc(CCCCCCCCCCCC)c3c2CCCCO3)c2c1OCCCC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
LTB4R Q15722 7/20 0.35
LTB4R2 Q9NPC1 7/20 0.35
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
TYR P14679 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7160508 1.00 CNR1 (0.36) CNR1CNR2LTB4RLTB4R2MEN1
SCHEMBL7154926 1.00 CNR1 (0.36) CNR1CNR2LTB4RLTB4R2MEN1
SCHEMBL251633 0.91 HTR2A (0.37) LTB4RLTB4R2MEN1TP53CYP3A4
SCHEMBL3262720 0.91 HTR2A (0.37) LTB4RLTB4R2MEN1TP53CYP3A4
SCHEMBL1525666 0.91 HTR2A (0.37) LTB4RLTB4R2MEN1TP53CYP3A4
SCHEMBL250560 0.91 HTR2A (0.37) LTB4RLTB4R2MEN1TP53CYP3A4
SCHEMBL7934677 0.91 HTR2A (0.37) LTB4RLTB4R2MEN1TP53CYP3A4
SCHEMBL1270000 0.84 F7 (0.39) CNR1LTB4RLTB4R2MAPTALOX15
Sulfuric Acid SCHEMBL1424848 0.84 LTB4R (0.38) CNR1CNR2LTB4RLTB4R2MEN1
Phosphoric Acid SCHEMBL7706766 0.84 LTB4R (0.38) LTB4RLTB4R2MEN1TP53CYP3A4

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-0945452-B1 SUGAR COMPOUNDS, GELLING AGENTS, GELLING AGENT COMPOSITIONS, PROCESSES FOR THE PREPARATION OF THEM, AND GEL COMPOSITIONS NEW JAPAN CHEM CO LTD (JP) 2003-11-19 EP disclosed
US-6187842-B1 REACTING SORBITOL OR XYLITOL WITH BENZALDEHYE IN PRESENCE OF ACID CATALYST NEW JAPAN CHEMICAL CO., LTD. (JP) 2001-02-13 US disclosed
EP-0945452-A1 SUGAR COMPOUNDS, GELLING AGENTS, GELLING AGENT COMPOSITIONS, PROCESSES FOR THE PREPARATION OF THEM, AND GEL COMPOSITIONS NEW JAPAN CHEMICAL CO.,LTD. (JP) 1999-09-29 EP disclosed