SCHEMBL3628673

SCHEMBL3628673

C=Cc1cccc2c(OC(C)=O)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
MAPK1 P28482 2/20 0.42
PTGS2 P35354 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PTGS1 P23219 2/20 0.42
ESR1 P03372 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HMGB1 P09429 1/20 0.42
HPGD P15428 1/20 0.42
GGT1 P19440 1/20 0.42
BLM P54132 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 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
SCHEMBL1088271 0.90 HTT (0.47) HTTPTGS2ALDH1A1HSD17B10TSHR
SCHEMBL3619460 0.84 KMT2A (0.43) HTTMAPK1PTGS2ALDH1A1HSD17B10
SCHEMBL6688920 0.84 HTT (0.56) HTTMAPK1PTGS2ALDH1A1HSD17B10
SCHEMBL30706195 0.82 PTGS2 (0.52) MAPK1PTGS2ALDH1A1HSD17B10TSHR
SCHEMBL58004 0.82 PTGS2 (0.52) MAPK1PTGS2ALDH1A1HSD17B10TSHR
SCHEMBL3627097 0.82 KMT2A (0.41) HTTMAPK1PTGS2ALDH1A1HSD17B10
SCHEMBL3248320 0.81 ACHE (0.54) HTTMAPK1PTGS2ALDH1A1HSD17B10
SCHEMBL7200176 0.81 TLR2 (0.50) HTTMAPK1PTGS2ALDH1A1HSD17B10
SCHEMBL2918517 0.81 MAPK1 (0.56) HTTMAPK1PTGS2ALDH1A1HSD17B10
Benzene SCHEMBL29242020 0.81 PTGS2 (0.55) MAPK1PTGS2ALDH1A1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2506357-B1 Separation membrane for direct liquid fuel cell and method for producing same TOKUYAMA CORP (JP) 2015-06-17 EP disclosed
US-8951712-B2 Resist protective film-forming composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-02-10 US disclosed
US-8951712-B2 Resist protective film-forming composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-02-10 US disclosed
US-20140080064-A1 RESIST PROTECTIVE FILM-FORMING COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-03-20 US disclosed
US-20140080064-A1 RESIST PROTECTIVE FILM-FORMING COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-03-20 US disclosed
EP-2506357-A1 Separation membrane for direct liquid fuel cell and method for producing same Tokuyama Corporation (JP) 2012-10-03 EP disclosed
US-8232325-B2 Separation membrane for direct liquid fuel cell and method for producing same TOKUYAMA CORPORATION (JP) 2012-07-31 US disclosed
US-20100003574-A1 Separation Membrane for Direct Liquid Fuel Cell and Method for Producing Same TOKUYAMA CORPORATION (JP) 2010-01-07 US disclosed
EP-1990854-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING SAME Tokuyama Corporation (JP) 2008-11-12 EP disclosed