SCHEMBL27601792

SCHEMBL27601792

CC(F)=Cc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.58
ESR2 Q92731 5/20 0.58
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
NQO2 P16083 3/20 0.52
PTGS1 P23219 3/20 0.52
PTGS2 P35354 3/20 0.52
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
CISD1 Q9NZ45 1/20 0.46
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
APP P05067 2/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL276966 0.79 ESR1 (0.62) ESR1ESR2ALDH1A1KDM4ENQO2
SCHEMBL3752963 0.79 ESR1 (0.54) ESR1ESR2ALDH1A1KDM4ENQO2
SCHEMBL14518618 0.77 ALDH1A1 (0.54) ESR1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7633159 0.77 ALDH1A1 (0.54) ESR1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6804932 0.77 ALDH1A1 (0.54) ESR1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3753409 0.75 ESR1 (0.50) ESR1ESR2ALDH1A1KDM4ENQO2
SCHEMBL3753407 0.75 ESR1 (0.50) ESR1ESR2ALDH1A1KDM4ENQO2
SCHEMBL5961638 0.75 ESR1 (0.58) ESR1ESR2ALDH1A1KDM4ENQO2
SCHEMBL5961637 0.75 ESR1 (0.58) ESR1ESR2ALDH1A1KDM4ENQO2
SCHEMBL23131309 0.75 TYR (0.50) ALDH1A1KDM4EPTGS1PTGS2MAPT

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
CN-100405220-C Acid-decomposable resin composition containing ketone-aldehyde copolymer NIPPON SODA CO (JP) 2008-07-23 CN disclosed
CN-1630835-A Acid-decomposable resin composition containing ketone-aldehyde copolymer NIPPON SODA CO (JP) 2005-06-22 CN disclosed