SCHEMBL5386792

SCHEMBL5386792

CCc1c(OCC(=O)O)cccc1OCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.65
GLA P06280 1/20 0.65
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
PTGDR2 Q9Y5Y4 2/20 0.51
LTB4R Q15722 1/20 0.49
CASP1 P29466 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALOX15 P16050 1/20 0.48
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
PLA2G1B P04054 4/20 0.47
CD69 Q07108 2/20 0.46
PLA2G2A P14555 1/20 0.45

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
SCHEMBL200620 0.83 L3MBTL1 (0.54) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL7169786 0.82 KDM4E (0.58) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL266662 0.81 L3MBTL1 (0.72) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL12015669 0.80 L3MBTL1 (0.54) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL10738445 0.80 L3MBTL1 (0.50) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL5379717 0.80 L3MBTL1 (0.63) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL8957184 0.80 LTB4R (0.58) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL10589417 0.80 POLB (0.50) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL340762 0.79 L3MBTL1 (0.80) L3MBTL1GLAPOLBSMN1; SMN2KDM4E
SCHEMBL29682135 0.79 L3MBTL1 (0.80) L3MBTL1GLAPOLBSMN1; SMN2KDM4E

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-7276571-B2 Process for making phenylene dioxydiacetic acid and use thereof INDSPEC CHEMICAL CORPORATION 2007-10-02 US disclosed
WO-2007005086-A1 PROCESS FOR MAKING PHENYLENE DIOXYDIACETIC ACID AND USE THEREOF INDSPEC CHEMICAL CORPORATION (US) 2007-01-11 WO disclosed
US-20070004898-A1 Process for making phenylene dioxydiacetic acid and use thereof INDSPEC CHEMICAL CORPORATION 2007-01-04 US disclosed