SCHEMBL6856597

SCHEMBL6856597

C=CC(=O)OC1CC2CCC1(C)C2(C)C.CCOC(C)Oc1ccc(C=CC=Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.57
ELANE P08246 2/20 0.45
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
XBP1 P17861 1/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.38
CYP19A1 P11511 2/20 0.38

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
SCHEMBL5702438 0.93 CYP2C19 (0.48) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL6554995 0.90 CYP2C19 (0.48) CYP2C19ELANEMAPTNPSR1KDM4E
4-Vinylphenol SCHEMBL6555163 0.87 MAPT (0.48) CYP2C19ELANEMAPTNPSR1KDM4E
4-Vinylphenol SCHEMBL6555172 0.87 CYP2C19 (0.42) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL7269909 0.86 CYP2C19 (0.47) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL5702425 0.85 CYP2C19 (0.47) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL7263341 0.83 MAPT (0.46) CYP2C19ELANEMAPTNPSR1KDM4E
4-Vinylphenol SCHEMBL6554445 0.83 CYP2C19 (0.38) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL6554401 0.83 CYP2C19 (0.45) CYP2C19ELANEMAPTNPSR1KDM4E
SCHEMBL8098055 0.82 CYP2C19 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716573-B2 Resist Composition WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-06 US disclosed