SCHEMBL22015056

SCHEMBL22015056

O=C(O)CC[n+]1cc(-c2ncco2)sn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.37
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CES1 P23141 3/20 0.32
HDAC4 P56524 1/20 0.31
FAAH O00519 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31
HPGDS O60760 1/20 0.31

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
SCHEMBL22015230 0.79 ALDH1A1 (0.36) CYP2D6TSHRHSD17B10
SCHEMBL21964020 0.78 LTA4H (0.30) LTA4H
SCHEMBL22015898 0.76 PABPC1 (0.35)
SCHEMBL22015895 0.75 LTA4H (0.31) LTA4H
SCHEMBL22015896 0.74
SCHEMBL22015071 0.72 TBXA2R (0.34) CYP2D6TSHRHSD17B10FAAH
Trifluoroacetic Acid SCHEMBL21963672 0.70 CYP2D6 (0.31) CYP2D6TSHRHSD17B10
SCHEMBL21431625 0.69 LTA4H (0.41) LTA4HCES1HDAC4FAAHNCEH1
Hydrochloric Acid SCHEMBL21963932 0.65 ALDH1A1 (0.34) TSHR
SCHEMBL22015232 0.65 ALDH1A1 (0.34) TSHR

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
WO-2020099404-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed