SCHEMBL5530696

SCHEMBL5530696

C=C(CF)C(=O)OC1CCOC1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL92245 0.86 KDM4E (0.43) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL16893280 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL14950394 0.84 KDM4E (0.48) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL14523973 0.83 POLB (0.46) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL25990997 0.82 MAPK1 (0.45) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL5408976 0.82 KDM4E (0.43) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL15219195 0.82 KDM4E (0.40) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL12826388 0.81 POLB (0.48) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL19012506 0.80 MAPK1 (0.49) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL70883 0.80 MAPK1 (0.49) ALDH1A1KDM4EHPGDHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122031-A1 PHOTORESIST COMPOSITION FOR NEGATIVE DEVELOPMENT AND PATTERN FORMING METHOD USING THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-05-17 US disclosed