SCHEMBL6555166

SCHEMBL6555166

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.50
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
XBP1 P17861 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ELANE P08246 2/20 0.49
MAPK1 P28482 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP19A1 P11511 2/20 0.41
MEN1 O00255 1/20 0.40
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL6862732 0.91 CYP2C19 (0.53) CYP2C19MAPTKDM4EGAAXBP1
Styrene SCHEMBL6757449 0.82 CYP2C19 (0.71) CYP2C19MAPTKDM4EGAAXBP1
4-Vinylphenol SCHEMBL6757441 0.80 CYP2C19 (0.65) CYP2C19MAPTKDM4EGAAXBP1
SCHEMBL6554995 0.79 CYP2C19 (0.48) CYP2C19MAPTKDM4EGAAXBP1
SCHEMBL26704 0.78 CYP2C19 (0.59) CYP2C19MAPTKDM4EGAAXBP1
SCHEMBL1185726 0.78 CYP2C19 (0.59) CYP2C19MAPTKDM4EGAAXBP1
SCHEMBL21838264 0.78 CYP2C19 (0.59) CYP2C19MAPTKDM4EGAAXBP1
SCHEMBL22902902 0.78 CYP2C19 (0.59) CYP2C19MAPTKDM4EGAAXBP1
SCHEMBL9227026 0.78 CYP2C19 (0.59) CYP2C19MAPTKDM4EGAAXBP1
SCHEMBL17917072 0.78 CYP2C19 (0.59) CYP2C19MAPTKDM4EGAAXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1059314-B1 A resist composition WAKO PURE CHEM IND LTD (JP) 2004-12-22 EP disclosed
US-6716573-B2 Resist Composition WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-06 US disclosed
US-20030039920-A1 Resist composition WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-27 US disclosed
EP-1059314-A1 A resist composition Wako Pure Chemical Industries, Ltd. (JP) 2000-12-13 EP disclosed