SCHEMBL9720820

SCHEMBL9720820

CCCCCCCCCc1c(OP(=O)(O)O)ccc2c1CCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.35
HTR2A P28223 3/20 0.35
HTR2B P41595 3/20 0.35
ENPP2 Q13822 1/20 0.35
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
S1PR1 P21453 4/20 0.34
S1PR3 Q99500 4/20 0.34
S1PR2 O95136 3/20 0.34
S1PR4 O95977 3/20 0.34
CYP1A1 P04798 1/20 0.34
PLK1 P53350 1/20 0.34
EED O75530 1/20 0.34
SUZ12 Q15022 1/20 0.34
EZH2 Q15910 1/20 0.34
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
INPPL1 O15357 1/20 0.33
AKT1 P31749 1/20 0.33
INPP5A Q14642 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
SCHEMBL436034 0.85 HTR2C (0.41) HTR2CHTR2AHTR2BMTNR1AMTNR1B
SCHEMBL705701 0.85 HTR2C (0.41) HTR2CHTR2AHTR2BMTNR1AMTNR1B
SCHEMBL8521325 0.79 LTB4R (0.37) ENPP2S1PR1S1PR3S1PR2S1PR4
SCHEMBL401248 0.77 TYR (0.42) HTR2CCYP1A1
SCHEMBL3427515 0.77 TYR (0.42) HTR2CCYP1A1
SCHEMBL11814414 0.77 TYR (0.42) HTR2CCYP1A1
SCHEMBL1502840 0.77 HTR2C (0.39) HTR2CHTR2AHTR2BINPPL1AKT1
SCHEMBL436395 0.76 HTR2C (0.38) HTR2CHTR2AHTR2BMTNR1AMTNR1B
SCHEMBL251263 0.76 HTR2C (0.38) HTR2CHTR2AHTR2BMTNR1AMTNR1B
SCHEMBL456734 0.75 ENPP2 (0.43) ENPP2S1PR1S1PR3S1PR2S1PR4

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-0274851-B1 A COMPOSITION FOR APPLICATION TO A PLANT LOCUS HARVEST CHEMICALS (PROPRIETARY) LIMITED (ZA) 1992-07-29 EP disclosed
US-5009710-A Gel of water, bentonite and alginate; thixotrophy; controlling and extinguishing fires HARVEST CHEMICALS (PROPRIETARY) LIMITED (ZA) 1991-04-23 US disclosed
EP-0274851-A1 A composition for application to a plant locus HARVEST CHEMICALS (PROPRIETARY) LIMITED (ZA) 1988-07-20 EP disclosed