SCHEMBL5804367

SCHEMBL5804367

Cc1c(F)ccc(O)c1N(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
HTR1A P08908 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
G6PD P11413 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3965959 0.77 TRPA1 (0.41) KDM4EALDH1A1MAPTG6PDKMT2A
SCHEMBL7534253 0.74 ALDH1A1 (0.40) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL29449508 0.74 TRPA1 (0.40) CA3CA6CA5ACA9CA14
SCHEMBL19944381 0.74 TRPA1 (0.40) CA3CA6CA5ACA9CA14
SCHEMBL22133743 0.72 CA6 (0.39) CA3CA6CA5ACA9CA14
SCHEMBL2756173 0.72 CA3 (0.39) CA3CA6CA5ACA9CA14
SCHEMBL9380980 0.70 ALDH1A1 (0.39) CA3CA6CA5ACA9CA14
SCHEMBL28045972 0.69 ERN1 (0.38) KDM4EMEN1ALDH1A1GAAKMT2A
SCHEMBL10929723 0.68 TRPA1 (0.41) KDM4EALDH1A1MAPTG6PDKMT2A
SCHEMBL7524173 0.68 KDM4E (0.39) CA3CA6CA5ACA9CA14

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
WO-2006076020-A2 FUEL COMPOSITIONS AND METHODS THEREOF FERNANDES JOSEPH B (US) 2006-07-20 WO disclosed
US-20050229479-A1 Fuel compositions and methods thereof ETANE USA, L.L.C. 2005-10-20 US disclosed
US-5118325-A Internal combustion engines EXXON RESEARCH AND ENGINEERING COMPANY (US) 1992-06-02 US disclosed