SCHEMBL11226587

SCHEMBL11226587

CCOC(=O)C(C)N(c1ccc(S(=O)(=O)c2ccccc2)cc1C(F)(F)F)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
KDR P35968 2/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SFRP1 Q8N474 3/20 0.37
WNT3 P56703 2/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
PDGFRB P09619 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
ABCC9 O60706 1/20 0.35

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
SCHEMBL11237927 0.83 CYP3A4 (0.37) SMN1; SMN2MAPTHTTHSD17B10LMNA
SCHEMBL10167002 0.76 ESR1 (0.42) SMN1; SMN2MAPTHSD17B10SFRP1WNT3
SCHEMBL10167004 0.74 SMN1; SMN2 (0.43) SMN1; SMN2MAPTSFRP1WNT3ALDH1A1
SCHEMBL27841266 0.68 ALDH1A1 (0.63) SMN1; SMN2MAPTHTTSFRP1WNT3
SCHEMBL3954806 0.65 PTGS2 (0.43) RORC
SCHEMBL4618478 0.65 SFRP1 (0.55) SFRP1WNT3
SCHEMBL7236719 0.65 ESR1 (0.52) RORC
SCHEMBL19199355 0.64 PIN1 (0.47) CHRM2CHRM1SMN1; SMN2MAPTHTT
SCHEMBL19199769 0.64 PIN1 (0.47) CHRM2CHRM1SMN1; SMN2MAPTHTT
SCHEMBL4201103 0.64 HTR6 (0.48) SMN1; SMN2MAPTSFRP1WNT3ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4349378-A Compounds useful as pesticides FBC LIMITED (GB) 1982-09-14 US disclosed
US-4309559-A PLANT GROWTH REGULATORS AND ESPECIALLY FUNGICIDES OR HERBICIDES FBC LIMITED (GB) 1982-01-05 US disclosed