SCHEMBL1318009

SCHEMBL1318009

CCCCCCCCCCCCCCCCCCOC(=O)CC(=O)CC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.55
TSHR P16473 3/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 2/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
NAAA Q02083 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
PLA2G4B P0C869 1/20 0.46
SMPD1 P17405 3/20 0.46

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
SCHEMBL23466791 0.94 TDP1 (0.49) FAAHTSHRLMNAALDH1A1TP53
SCHEMBL1907940 0.93 TSHR (0.55) FAAHTSHRLMNAALDH1A1TP53
SCHEMBL1487522 0.93 TSHR (0.55) FAAHTSHRLMNAALDH1A1TP53
SCHEMBL9858916 0.88 DGKA (0.51) TSHRLMNAALDH1A1TP53CYP3A4
SCHEMBL648865 0.86 TSHR (0.53) TSHRLMNAALDH1A1TP53CYP3A4
SCHEMBL29549033 0.83 TDP1 (0.60) LMNAALDH1A1CYP3A4MAPK1NPC1
SCHEMBL5710066 0.82 LMNA (0.54) TSHRLMNAALDH1A1TP53CYP3A4
SCHEMBL2036338 0.82 KMT2A (0.54) ALDH1A1CYP3A4MAPK1NPC1RAB9A
SCHEMBL4611603 0.81 L3MBTL1 (0.59) TSHRLMNAALDH1A1TP53CYP3A4
SCHEMBL10525217 0.81 FAAH (0.79) FAAHTSHRALDH1A1NAAA

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
US-9303151-B2 Stabilizer mixtures for halogen-containing plastics by underwater pelletization IKA INNOVATIVE KUNSTSTOFFAUFBEREITUNG GMBH & CO. KG (DE) 2016-04-05 US disclosed
US-20130005877-A1 STABILIZER MIXTURES FOR HALOGEN-CONTAINING PLASTICS BY UNDERWATER PELLETIZATION IKA INNOVATIVE KUNSTSTOFFAUFBEREITUNG GMBH & CO. KG (DE) 2013-01-03 US disclosed
US-20110275747-A1 STABILIZER SYSTEMS FOR POLYMERS CONTAINING HALOGEN IKA INNOVATIVE KUNSTSTOFFAUFBEREITUNG GMBH & CO. KG (DE) 2011-11-10 US disclosed