SCHEMBL28625575

SCHEMBL28625575

O=S(=O)(O)NCCCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PNMT P11086 1/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
GRIA1 P42261 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.31
PPARA Q07869 2/20 0.30
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL1728200 0.77 GRIA1 (0.37) EPHX1CA1CA2GRIA1MEN1
SCHEMBL29229351 0.77 GRIA1 (0.42) EPHX1ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL14256399 0.76 EPHX1 (0.42) EPHX1PNMTCA1CA2GRIA1
SCHEMBL14690081 0.76 CA1 (0.31) EPHX1CA1CA2GRIA1
SCHEMBL216634 0.73 APP (0.46)
SCHEMBL1728208 0.73 GRIA1 (0.37) EPHX1CA1CA2GRIA1MEN1
Ammonia Solution, Strong SCHEMBL19811951 0.71 APP (0.44)
SCHEMBL778506 0.71 APP (0.44)
SCHEMBL4455275 0.71 APP (0.44)
SCHEMBL1728087 0.71 GRIA1 (0.40) EPHX1ALDH1A1SMN1; SMN2CA1CA2

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-113252759-A Electrochemical gas sensor and electrolyte for electrochemical gas sensor 德尔格安全股份两合公司 2021-08-13 CN disclosed