SCHEMBL5702425

SCHEMBL5702425

C=CC(=O)OC1CC2CCC1(C)C2(C)C.CCOC(CC)Oc1ccc(C=CC=Cc2ccc(O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
ELANE P08246 2/20 0.47
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
XBP1 P17861 1/20 0.45
CYP19A1 P11511 2/20 0.37
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6554401 0.91 CYP2C19 (0.45) CYP2C19ELANEMAPTKMT2AMAPK1
SCHEMBL5702438 0.91 CYP2C19 (0.48) CYP2C19ELANEMAPTKMT2AMAPK1
SCHEMBL7264961 0.90 MAPT (0.45) CYP2C19ELANEMAPTKMT2AMAPK1
SCHEMBL7269909 0.85 CYP2C19 (0.47) CYP2C19ELANEMAPTKMT2AMAPK1
SCHEMBL6856597 0.85 CYP2C19 (0.57) CYP2C19ELANEMAPTKMT2AMAPK1
4-Vinylphenol SCHEMBL6555172 0.84 CYP2C19 (0.42) CYP2C19ELANEMAPTKMT2AMAPK1
4-Vinylphenol SCHEMBL6555163 0.84 MAPT (0.48) CYP2C19ELANEMAPTKMT2AMAPK1
SCHEMBL5702429 0.82 CYP2C19 (0.47) CYP2C19ELANEMAPTKMT2AMAPK1
SCHEMBL7263341 0.81 MAPT (0.46) CYP2C19ELANEMAPTKMT2AMAPK1
4-Vinylphenol SCHEMBL6554445 0.81 CYP2C19 (0.38) CYP2C19ELANEMAPTKMT2AMAPK1

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-1059563-B1 Agent for reducing substrate dependence of resist WAKO PURE CHEM IND LTD (JP) 2006-08-09 EP disclosed
US-6656660-B1 Resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-12-02 US disclosed
US-6586152-B1 Useful as an ingredient of a resist composition used for preparation of semiconductor devices and the like, which comprises a compound shown by the following general formula useful as an ingredient of a resist composition used for WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-01 US disclosed
EP-1024406-A1 Resist composition WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 2000-08-02 EP disclosed