SCHEMBL9628616

SCHEMBL9628616

C=Cc1ccc(OCC(=O)OC(C)OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
PTGS2 P35354 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6778614 0.87 MAPT (0.61) MAPTPTGS2SMN1; SMN2GAACHRNB2
SCHEMBL9627341 0.86 MAPT (0.45) MAPTPTGS2SMN1; SMN2GAACHRNB2
SCHEMBL6783264 0.83 MAPT (0.47) MAPTPTGS2SMN1; SMN2GAACHRNB2
SCHEMBL6774718 0.82 PTGS2 (0.65) MAPTPTGS2SMN1; SMN2GAACHRNB2
SCHEMBL8046962 0.81 MAPT (0.45) MAPTPTGS2SMN1; SMN2GAACHRNB2
SCHEMBL8046959 0.81 MAPT (0.45) MAPTPTGS2SMN1; SMN2GAACHRNB2
SCHEMBL9626772 0.80 POLB (0.41) MAPTPTGS2SMN1; SMN2LMNAPOLB
SCHEMBL14527732 0.79 TSHR (0.45) SMN1; SMN2TAS1R3TAS1R1
SCHEMBL6773891 0.78 TSHR (0.47) MAPTPTGS2SMN1; SMN2GAACHRNB2
SCHEMBL6778438 0.77 GAA (0.62) MAPTPTGS2SMN1; SMN2GAACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0476865-A1 Resist material and process for forming pattern using the same WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1992-03-25 EP claimed
EP-0476865-A1 Resist material and process for forming pattern using the same WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1992-03-25 EP disclosed