SCHEMBL3680037

SCHEMBL3680037

CCCCCCCCCCCCOCC(COCCCCCCCCCC)OCC(O)CO

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.79
HTT P42858 2/20 0.56
LPAR1 Q92633 7/20 0.51
LPAR3 Q9UBY5 7/20 0.51
LPAR2 Q9HBW0 4/20 0.51
PLA2G2C Q5R387 1/20 0.51
LPAR5 Q9H1C0 4/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SPHK1 Q9NYA1 1/20 0.47
KDM4E B2RXH2 1/20 0.47
DUSP3 P51452 1/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.46
MAPT P10636 1/20 0.46
LPAR6 P43657 3/20 0.45
LPAR4 Q99677 3/20 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
SCHEMBL10421556 1.00 USP2 (0.79) USP2HTTLPAR1LPAR3LPAR2
SCHEMBL10420970 0.98 USP2 (0.77) USP2HTTLPAR1LPAR3LPAR2
SCHEMBL13299401 0.97 USP2 (0.80) USP2HTTLPAR1LPAR3LPAR2
SCHEMBL1721200 0.97 USP2 (0.74) USP2HTTLPAR1LPAR3LPAR2
SCHEMBL18301311 0.97 USP2 (0.80) USP2HTTLPAR1LPAR3LPAR2
SCHEMBL10421538 0.97 USP2 (0.74) USP2HTTLPAR1LPAR3LPAR2
SCHEMBL10421558 0.97 USP2 (0.74) USP2HTTLPAR1LPAR3LPAR2
SCHEMBL10421540 0.97 USP2 (0.74) USP2HTTLPAR1LPAR3LPAR2
SCHEMBL10420143 0.97 USP2 (0.74) USP2HTTLPAR1LPAR3LPAR2
SCHEMBL13299397 0.95 USP2 (0.77) USP2HTTLPAR1LPAR3LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710103-B2 Synergistic preparations based on mixtures of glycerol ether with aromatic alcohol for controlling mycobacteria AIR LIQUIDE SANTE (INTERNATIONAL) (FR) 2014-04-29 US disclosed
US-20130231397-A1 SYNERGISTIC PREPARATIONS BASED ON MIXTURES OF GLYCEROL ETHER WITH AROMATIC ALCOHOL FOR CONTROLLING MYCOBACTERIA AIR LIQUIDE, SANTE (INTERNATIONAL) (FR) 2013-09-05 US disclosed
US-8440725-B2 Synergistic preparations based on mixtures of glycerol ether with aromatic alcohol for controlling mycobacteria AIR LIQUIDE SANTE (INTERNATIONAL) (FR) 2013-05-14 US disclosed
US-20100331426-A1 Synergistic preparations based on mixtures of glycerol ether with aromatic alcohol for controlling mycobacteria AIR LIQUIDE, SANTE (INTERNATIONAL) (FR) 2010-12-30 US disclosed