SCHEMBL7773019

SCHEMBL7773019

C=Cc1ccc(C(O)CCCCCCC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
LPAR2 Q9HBW0 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
PTGER2 P43116 5/20 0.41
CACNA1F O60840 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
DRD3 P35462 1/20 0.41
CACNA1D Q01668 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
CA2 P00918 2/20 0.40

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
SCHEMBL11982047 0.98 TAS1R3 (0.44) S1PR2S1PR1S1PR3LPAR2TAS1R3
SCHEMBL4237262 0.93 TAS1R3 (0.45) S1PR2S1PR1S1PR3LPAR2TAS1R3
SCHEMBL5133124 0.87 TAS1R3 (0.50) S1PR2S1PR1S1PR3LPAR2TAS1R3
SCHEMBL1140807 0.86 TAS1R3 (0.40) TAS1R3TAS1R1HTR2ACA2ALDH1A1
SCHEMBL1140600 0.86 TAS1R3 (0.40) TAS1R3TAS1R1HTR2ACA2ALDH1A1
SCHEMBL12280336 0.84 S1PR2 (0.50) S1PR2S1PR1S1PR3LPAR2PTGER2
SCHEMBL9838748 0.84 TAS1R3 (0.39) S1PR2S1PR1S1PR3LPAR2TAS1R3
SCHEMBL9717991 0.84 TAS1R3 (0.39) S1PR2S1PR1S1PR3LPAR2TAS1R3
SCHEMBL28901186 0.84 TAS1R3 (0.39) S1PR2S1PR1S1PR3LPAR2TAS1R3
SCHEMBL3839244 0.84 S1PR2 (0.50) S1PR2S1PR1S1PR3LPAR2PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001023471-A1 HEAT STABLE ARTICLE, LATEX COMPOSITION, AND METHOD OF MAKING THE DOW CHEMICAL COMPANY (US) 2001-04-05 WO disclosed