SCHEMBL7061667

SCHEMBL7061667

CCCCCc1ccc(Oc2ccc(CCCCC)c(CCCCC)c2CCCCC)c(CCCCC)c1CCCCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.44
ALOX5 P09917 7/20 0.42
PTGS2 P35354 4/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LIPG Q9Y5X9 1/20 0.39
MAPK1 P28482 1/20 0.38
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPARA Q07869 1/20 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
SCHEMBL30389428 0.98 TYR (0.47) TYRALOX5PTGS2TSHRMEN1
SCHEMBL29985818 0.98 TYR (0.47) TYRALOX5PTGS2TSHRMEN1
SCHEMBL14231001 0.98 TYR (0.47) TYRALOX5PTGS2TSHRMEN1
SCHEMBL29799516 0.98 TYR (0.47) TYRALOX5PTGS2TSHRMEN1
Hydrochloric Acid SCHEMBL28780455 0.96 TYR (0.46) TYRALOX5PTGS2TSHRMEN1
SCHEMBL28916682 0.94 TYR (0.41) TYRALOX5PTGS2TSHRMEN1
SCHEMBL1133572 0.87 TYR (0.53) TYRALOX5PTGS2TSHRMEN1
SCHEMBL31230428 0.87 TYR (0.53) TYRALOX5PTGS2TSHRMEN1
Ethylene Glycol SCHEMBL21611851 0.87 TYR (0.41) TYRALOX5PTGS2TSHRMEN1
SCHEMBL8387102 0.85 TYR (0.44) TYRALOX5PTGS2TSHRMEN1

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-1157612-B1 GRANULAR WATER-DISPERSIBLE AGENTS AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO (JP) 2004-10-06 EP disclosed
EP-1157612-A1 GRANULAR WATER-DISPERSIBLE AGENTS AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO., LTD. (JP) 2001-11-28 EP disclosed