SCHEMBL28256002

SCHEMBL28256002

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
LTB4R Q15722 4/20 0.40
LTB4R2 Q9NPC1 4/20 0.40
ALOX5 P09917 4/20 0.39
OPRM1 P35372 1/20 0.39
MLYCD O95822 1/20 0.39
AOC3 Q16853 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPY5R Q15761 1/20 0.38

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
SCHEMBL28028330 0.86 L3MBTL1 (0.49) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL28028797 0.84 TAAR1 (0.43) TDP1TAAR1MEN1NPC1RAB9A
SCHEMBL28255732 0.83 ALOX5 (0.44) TDP1TAAR1MEN1NPC1RAB9A
SCHEMBL12133485 0.69 LTB4R (0.58) TDP1TAAR1MEN1NPC1RAB9A
SCHEMBL5696627 0.68 SMN1; SMN2 (0.54) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL28020614 0.67 CHRM1 (0.52) TAAR1MEN1KMT2AALOX5ALDH1A1
SCHEMBL13034052 0.67 LTB4R (0.52) TDP1TAAR1MEN1NPC1RAB9A
SCHEMBL13181407 0.67 LTB4R (0.56) TAAR1LTB4RLTB4R2MLYCDALDH1A1
SCHEMBL28384602 0.67 MEN1 (0.47) TDP1TAAR1MEN1NPC1RAB9A
SCHEMBL14690907 0.66 TDP1 (0.54) TDP1MEN1NPC1RAB9AKMT2A

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-B Electrolyte solution for electrochemical device and electrochemical device 富士胶片和光纯药株式会社 2018-11-02 CN disclosed