SCHEMBL9627341

SCHEMBL9627341

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGS2 P35354 2/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
POLB P06746 1/20 0.40
PLA2G4B P0C869 1/20 0.38
ACACB O00763 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
SCHEMBL9628616 0.86 MAPT (0.47) MAPTSMN1; SMN2GAANPSR1PTGS2
SCHEMBL9626963 0.85 KDM4E (0.46) MAPTSMN1; SMN2GAAPTGS2
SCHEMBL6778614 0.84 MAPT (0.61) MAPTSMN1; SMN2GAANPSR1PTGS2
SCHEMBL6783264 0.83 MAPT (0.47) MAPTSMN1; SMN2GAANPSR1PTGS2
SCHEMBL6778438 0.81 GAA (0.62) MAPTSMN1; SMN2GAANPSR1PTGS2
SCHEMBL8905603 0.80 MAPT (0.46) MAPT
SCHEMBL8372907 0.80 MAPT (0.46) MAPTSMN1; SMN2GAANPSR1POLB
SCHEMBL8716545 0.79 MAPT (0.44) MAPTSMN1; SMN2GAANPSR1POLB
SCHEMBL8046962 0.78 MAPT (0.45) MAPTSMN1; SMN2GAANPSR1PTGS2
SCHEMBL8046959 0.78 MAPT (0.45) MAPTSMN1; SMN2GAANPSR1PTGS2

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