SCHEMBL9846395

SCHEMBL9846395

COC(Oc1ccccc1)=C(C(=O)OOS(=O)(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
KAT6A Q92794 3/20 0.38
GAA P10253 1/20 0.38
HSD11B1 P28845 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PTGES O14684 1/20 0.36
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.35
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
AKR1C3 P42330 1/20 0.34
ELANE P08246 2/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL28760907 0.80 TSHR (0.46) MAPTGAASMN1; SMN2HTTTSHR
SCHEMBL6206065 0.76 TSHR (0.47) MAPTGAASMN1; SMN2HTTTSHR
SCHEMBL9846357 0.75 KMT2A (0.41) MAPTKAT6AGAASMN1; SMN2TSHR
SCHEMBL9846384 0.70 SMN1; SMN2 (0.38) MAPTSMN1; SMN2HTTTSHRF2
SCHEMBL3018658 0.69 F2 (0.59) MAPTKAT6AHSD11B1SMN1; SMN2TSHR
SCHEMBL3026705 0.69 F2 (0.59) MAPTKAT6AHSD11B1SMN1; SMN2TSHR
SCHEMBL6206489 0.68 NPC1 (0.45) MAPTSMN1; SMN2HTTTSHRELANE
SCHEMBL5974780 0.68 F2 (0.57) MAPTKAT6AHSD11B1SMN1; SMN2TSHR
SCHEMBL6261808 0.67 BCAT1 (0.43) MAPTHSD11B1SMN1; SMN2HTTTSHR
SCHEMBL3018681 0.67 BCAT1 (0.43) MAPTHSD11B1SMN1; SMN2HTTTSHR

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-0415569-A2 Agrochemical compositions ZENECA LIMITED (GB) 1991-03-06 EP claimed