SCHEMBL3815313

SCHEMBL3815313

CCOC(=O)Cc1c(F)cc(C(=O)OCC)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
JMJD6 Q6NYC1 1/20 0.38
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9874142 0.88 TSHR (0.42) TSHRHTTTP53NPSR1TDP1
SCHEMBL2001481 0.82 TSHR (0.52) TSHRHTTTP53NPSR1TDP1
SCHEMBL9873486 0.81 TSHR (0.41) TSHRHTTTP53NPSR1TDP1
SCHEMBL27213906 0.78 CA12 (0.47) TSHRHTTTP53NPSR1TDP1
SCHEMBL512668 0.77 LMNA (0.43) HTTNPSR1TDP1L3MBTL1ALDH1A1
SCHEMBL13341770 0.76 TSHR (0.46) TSHRHTTTP53NPSR1TDP1
SCHEMBL3799951 0.76 GAA (0.46) TDP1L3MBTL1CA12CA1CA2
SCHEMBL7494802 0.76 NLRP3 (0.42) TSHRHTTNPSR1TDP1L3MBTL1
SCHEMBL2184188 0.76 TSHR (0.48) TSHRHTTTP53NPSR1TDP1
SCHEMBL7008683 0.75 TSHR (0.44) TSHRHTTTP53NPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1186594-B1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2009-08-05 EP disclosed
US-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 US disclosed
EP-1186594-A1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2002-03-13 EP disclosed