SCHEMBL24465338

SCHEMBL24465338

NN(C(=O)c1ccccc1C(=O)OCC1CO1)S(=O)(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
MGLL Q99685 6/20 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
SCHEMBL21801767 0.78 DHFR (0.59) DHFRL3MBTL1MAPK1MGLL
SCHEMBL121520 0.78 DHFR (0.59) DHFRL3MBTL1MAPK1MGLL
SCHEMBL29374975 0.78 DHFR (0.59) DHFRL3MBTL1MAPK1MGLL
SCHEMBL28387457 0.74 DHFR (0.55) DHFRL3MBTL1MAPK1MGLL
SCHEMBL27821762 0.73 DHFR (0.54) DHFRL3MBTL1MAPK1MGLL
SCHEMBL21801769 0.73 DHFR (0.54) DHFRL3MBTL1MAPK1MGLL
SCHEMBL30541879 0.73 DHFR (0.54) DHFRL3MBTL1MAPK1MGLL
SCHEMBL529997 0.73 DHFR (0.54) DHFRL3MBTL1MAPK1MGLL
SCHEMBL15164276 0.73 TDP1 (0.56) DHFRL3MBTL1MAPK1MGLL
SCHEMBL10472383 0.72 L3MBTL1 (0.69) DHFRL3MBTL1MAPK1MGLL

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
EP-4006921-A2 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE Shin-Etsu Chemical Co., Ltd. (JP) 2022-06-01 EP disclosed