SCHEMBL9718330

SCHEMBL9718330

COC=Cc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 8/20 0.59
NQO2 P16083 1/20 0.53
PTGS1 P23219 2/20 0.48
APP P05067 1/20 0.48
HSD11B1 P28845 1/20 0.45
TRPA1 O75762 1/20 0.44
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL10567248 0.80 NFE2L2 (0.54) NFE2L2NQO2PTGS1APPHSD11B1
SCHEMBL5384397 0.78 RELA (0.58) NFE2L2PTGS1ALOX5PTGS2
SCHEMBL5384402 0.78 RELA (0.58) NFE2L2PTGS1ALOX5PTGS2
SCHEMBL976834 0.76 APP (0.54) NFE2L2NQO2PTGS1APPTRPA1
SCHEMBL20242718 0.76 PTGS1 (0.47) NFE2L2NQO2PTGS1PTGS2
SCHEMBL7868088 0.76 KDM4E (0.64) NFE2L2NQO2PTGS1TRPA1ALOX5
SCHEMBL7745235 0.76 AHR (0.48) NFE2L2PTGS1ALOX5PTGS2
SCHEMBL10981021 0.76 APP (0.54) NFE2L2NQO2PTGS1APPTRPA1
SCHEMBL11808396 0.76 AHR (0.48) NFE2L2PTGS1ALOX5PTGS2
SCHEMBL18157312 0.76 APP (0.48) NFE2L2NQO2PTGS1APPTRPA1

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
CN-113717209-A Synthesis method of alkyl silicon compound 南通大学 2021-11-30 CN disclosed
US-5130435-A Elimination of alcohol from an acetal or ketal in the presence of phosphates BASF AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed