SCHEMBL6554401

SCHEMBL6554401

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
ELANE P08246 2/20 0.43
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
XBP1 P17861 1/20 0.41
KMT2A Q03164 3/20 0.36
MAPK1 P28482 2/20 0.36
CYP19A1 P11511 2/20 0.36
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL5702425 0.91 CYP2C19 (0.47) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL5702438 0.83 CYP2C19 (0.48) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL6856597 0.83 CYP2C19 (0.57) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL7264961 0.81 MAPT (0.45) CYP2C19ELANEMAPTNPSR1KDM4E
4-Vinylphenol SCHEMBL6555172 0.80 CYP2C19 (0.42) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL6554995 0.79 CYP2C19 (0.48) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL7269909 0.77 CYP2C19 (0.47) CYP2C19ELANEMAPTNPSR1KDM4E
4-Vinylphenol SCHEMBL6555163 0.76 MAPT (0.48) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL8098055 0.75 CYP2C19 (0.41) CYP2C19ELANEMAPTNPSR1KDM4E
4-Vinylphenol SCHEMBL6554445 0.74 CYP2C19 (0.38) CYP2C19ELANEMAPTNPSR1KDM4E

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
US-6432608-B1 FINENESS PATTERN WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-13 US disclosed