SCHEMBL28028797

SCHEMBL28028797

O=C(OF)N(CCc1ccccc1)[SH](=O)=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LTB4R Q15722 4/20 0.42
LTB4R2 Q9NPC1 4/20 0.42
ALOX5 P09917 5/20 0.41
AOC3 Q16853 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MLYCD O95822 1/20 0.40
NPY5R Q15761 1/20 0.40
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KEAP1 Q14145 1/20 0.39

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
SCHEMBL28255732 0.85 ALOX5 (0.44) TAAR1MEN1NPC1RAB9AKMT2A
SCHEMBL28256002 0.84 TDP1 (0.41) TAAR1MEN1NPC1RAB9AKMT2A
SCHEMBL28028330 0.83 L3MBTL1 (0.49) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL28020614 0.69 CHRM1 (0.52) TAAR1MEN1KMT2AALOX5ALDH1A1
SCHEMBL12133485 0.68 LTB4R (0.58) TAAR1MEN1NPC1RAB9AKMT2A
SCHEMBL27763743 0.68 NPC1 (0.49) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL2097870 0.68 NPY5R (0.56) TAAR1NPC1RAB9AKMT2ALTB4R
SCHEMBL2097867 0.67 NPY5R (0.51) TAAR1MEN1NPC1RAB9AKMT2A
SCHEMBL5696627 0.67 SMN1; SMN2 (0.54) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL7280263 0.66 TDP1 (0.68) NPC1RAB9AKMT2ATDP1ALDH1A1

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
CN-104969406-A Electrolyte solution for electrochemical device and electrochemical device WAKO PURE CHEM IND LTD 2015-10-07 CN disclosed