SCHEMBL8098055

SCHEMBL8098055

C=CC(=O)OC1CC2CCC1(C)C2(C)C.C=Cc1ccc(OC(=O)OC(C)(C)C)cc1.C=Cc1ccc(OC(C)OCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
ELANE P08246 2/20 0.41
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP19A1 P11511 2/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6554995 0.91 CYP2C19 (0.48) CYP2C19ELANEMAPTKDM4EGAA
4-Vinylphenol SCHEMBL6555163 0.88 MAPT (0.48) CYP2C19ELANEMAPTKDM4EGAA
4-Vinylphenol SCHEMBL6555172 0.85 CYP2C19 (0.42) CYP2C19ELANEMAPTKDM4EGAA
SCHEMBL5702438 0.82 CYP2C19 (0.48) CYP2C19ELANEMAPTKDM4EGAA
SCHEMBL6856597 0.82 CYP2C19 (0.57) CYP2C19ELANEMAPTKDM4EGAA
SCHEMBL6862732 0.79 CYP2C19 (0.53) CYP2C19ELANEMAPTKDM4EGAA
4-Vinylphenol SCHEMBL6554445 0.78 CYP2C19 (0.38) CYP2C19ELANEMAPTKDM4EGAA
SCHEMBL6552995 0.77 CYP2C19 (0.42) CYP2C19ELANEMAPTKDM4EGAA
4-Vinylphenol SCHEMBL7702861 0.76 ELANE (0.41) ELANEKMT2A
SCHEMBL6554393 0.75 NR1H4 (0.33) ELANE

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-1059314-A1 A resist composition Wako Pure Chemical Industries, Ltd. (JP) 2000-12-13 EP disclosed