SCHEMBL18903261

SCHEMBL18903261

CCCCS(I)(CCCC)CC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.45
CES2 O00748 4/20 0.45
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
NAAA Q02083 1/20 0.41
HSD11B1 P28845 2/20 0.41
GSK3B P49841 2/20 0.40
TRPA1 O75762 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL28538201 0.81 RECQL (0.49) CES1CES2RECQLL3MBTL1MAPT
SCHEMBL3730655 0.77 RECQL (0.47) CES1CES2RECQLL3MBTL1MAPT
Valerophenone SCHEMBL9725402 0.72 L3MBTL1 (0.72) CES1CES2L3MBTL1MAPTTDP1
SCHEMBL15791249 0.72 MAPK1 (0.54) CES1RECQLL3MBTL1MAPTTDP1
Valerophenone SCHEMBL5615151 0.72 L3MBTL1 (0.72) CES1CES2L3MBTL1MAPTTDP1
Valerophenone SCHEMBL50014 0.72 L3MBTL1 (0.72) CES1CES2L3MBTL1MAPTTDP1
SCHEMBL6272762 0.71 CES1 (0.42) CES1CES2L3MBTL1MAPTTDP1
SCHEMBL50000 0.71 L3MBTL1 (0.76) CES1CES2L3MBTL1MAPTTDP1
Valerophenone SCHEMBL9858470 0.71 L3MBTL1 (0.69) CES1CES2L3MBTL1MAPTTDP1
SCHEMBL8761020 0.71 RECQL (0.56) CES1CES2RECQLL3MBTL1MAPT

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
EP-2721446-B1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC-RAY- OR RADIATION-SENSITIVE FILM THEREFROM AND METHOD OF FORMING PATTERN FUJIFILM CORP (JP) 2017-11-22 EP disclosed
EP-2090932-B1 Positive resist composition for use with electron beam, X-ray or EUV and pattern forming method using the same FUJIFILM CORP (JP) 2017-05-31 EP disclosed