SCHEMBL24445898

SCHEMBL24445898

O=COc1cc(F)c(F)c(F)c1O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.34
INPPL1 O15357 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
AKR1B1 P15121 1/20 0.31
TUBB1 Q9H4B7 1/20 0.30
ALOX5 P09917 1/20 0.30
NFKB1 P19838 1/20 0.30
STAT3 P40763 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL474389 0.81 INPPL1 (0.32) INPPL1CES2CES1
SCHEMBL27448300 0.76
SCHEMBL2160957 0.72 BACE1 (0.35) ERN1ALOX5
SCHEMBL24436695 0.72 PTGS2 (0.44) ERN1TUBB1ALOX5NFKB1STAT3
SCHEMBL27283167 0.72
SCHEMBL5588963 0.72 POLB (0.42) ERN1CES2CES1AKR1B1ALOX5
SCHEMBL27278410 0.72 INPPL1 (0.34) INPPL1
SCHEMBL1997863 0.71 CES2 (0.39) ERN1CES2CES1
SCHEMBL12474133 0.71 CYP4F2 (0.45)
SCHEMBL6332603 0.70 ERN1 (0.59) ERN1

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
EP-4001336-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE Shin-Etsu Chemical Co., Ltd. (JP) 2022-05-25 EP disclosed