SCHEMBL683450

SCHEMBL683450

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
CYP19A1 P11511 1/20 0.40
ESR2 Q92731 1/20 0.40
MTNR1B P49286 5/20 0.39
MTNR1A P48039 4/20 0.39
ABCB11 O95342 1/20 0.36
HTR2A P28223 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL18903250 0.84 ESR1 (0.57) ESR1CYP19A1ESR2MTNR1BMTNR1A
SCHEMBL686106 0.83 APLNR (0.47) HTR2AKDM4EALDH1A1
SCHEMBL683451 0.82 ABCB11 (0.40) ESR1CYP19A1ESR2ABCB11HTR2A
SCHEMBL14196450 0.82 ALDH1A1 (0.39) ESR1CYP19A1ESR2MTNR1BMTNR1A
SCHEMBL2061056 0.75 KDM4E (0.50) ESR1CYP19A1ESR2KDM4EALDH1A1
SCHEMBL683151 0.74 CALM1 (0.51) ALDH1A1
SCHEMBL16952197 0.74 KDM4E (0.44) ESR1CYP19A1ESR2MTNR1BMTNR1A
SCHEMBL683440 0.71 ALDH1A1 (0.47) KDM4EALDH1A1
SCHEMBL13221006 0.70 HSD17B10 (0.47) KDM4EALDH1A1
SCHEMBL16884629 0.70 DAO (0.43) ESR1CYP19A1ESR2MTNR1BMTNR1A

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