SCHEMBL683451

SCHEMBL683451

COc1ccc(COC(C)OC)c(CO)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.40
HTR2A P28223 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
IDO1 P14902 2/20 0.38
POLB P06746 1/20 0.38
ESR1 P03372 1/20 0.37
CYP19A1 P11511 1/20 0.37
ESR2 Q92731 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL683450 0.82 ESR1 (0.40) ABCB11HTR2AKDM4EALDH1A1ESR1
SCHEMBL10138443 0.81 APLNR (0.53) HTR2AKDM4EALDH1A1IDO1
SCHEMBL14196445 0.80 ALDH1A1 (0.42) ABCB11KDM4EALDH1A1POLB
SCHEMBL2061056 0.79 KDM4E (0.50) KDM4EALDH1A1IDO1POLBESR1
SCHEMBL14196457 0.74 ALDH1A1 (0.42) ABCB11KDM4EALDH1A1POLB
SCHEMBL13221006 0.74 HSD17B10 (0.47) KDM4EALDH1A1IDO1POLBHSD17B10
SCHEMBL7284764 0.73 KDM4E (0.43) ABCB11HTR2AKDM4EALDH1A1IDO1
SCHEMBL31731788 0.73 GAA (0.51) ABCB11HTR2AKDM4EALDH1A1POLB
SCHEMBL8129995 0.73 KDM4E (0.45) ABCB11HTR2AKDM4EALDH1A1IDO1
SCHEMBL135264 0.72 POLB (0.59) KDM4EALDH1A1POLBESR1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090722-B2 Chemical amplification resist composition, and mold preparation method and resist film using the same FUJIFILM CORPORATION (JP) 2015-07-28 US disclosed
US-20120006788-A1 CHEMICAL AMPLIFICATION RESIST COMPOSITION, AND MOLD PREPARATION METHOD AND RESIST FILM USING THE SAME FUJIFILM CORPORATION (JP) 2012-01-12 US disclosed