SCHEMBL825415

SCHEMBL825415

CCC(CC(C)c1ccc(OC(C)OCC(C)C)cc1)c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.40
ESR2 Q92731 5/20 0.40
MAPT P10636 2/20 0.35
PTGS1 P23219 2/20 0.35
SLC6A2 P23975 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
AR P10275 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL825589 0.90 ESR1 (0.42) ESR1ESR2MAPTPTGS1SLC6A2
SCHEMBL13098434 0.90 ESR1 (0.42) ESR1ESR2MAPTPTGS1SLC6A2
SCHEMBL14067020 0.89 ESR1 (0.41) ESR1ESR2MAPTPTGS1SLC6A2
SCHEMBL13098433 0.87 ESR1 (0.40) ESR1ESR2MAPTPTGS1SLC6A2
SCHEMBL825444 0.87 SLC22A1 (0.36) LMNADRD1ADRA1AOPRM1DRD3
SCHEMBL12578584 0.87 ESR1 (0.44) ESR1ESR2MAPTPTGS1SLC6A2
SCHEMBL13098435 0.87 ESR1 (0.44) ESR1ESR2MAPTPTGS1SLC6A2
SCHEMBL13098432 0.86 ESR1 (0.39) ESR1ESR2MAPTPTGS1SLC6A2
SCHEMBL13098439 0.84 ESR1 (0.42) ESR1ESR2MAPTPTGS1SLC6A2
SCHEMBL13098458 0.84 ESR1 (0.40) ESR1ESR2PTGS1SLC6A2LMNA

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-8142977-B2 mixture of resin which decomposes under acid under exposure to actinic radiation, acid generator FUJIFILM CORPORATION (JP) 2012-03-27 US disclosed
US-20080241749-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed