SCHEMBL3867693

SCHEMBL3867693

COCCOc1c(S(C)(=O)=O)ccc(C=O)c1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
EGFR P00533 3/20 0.34
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PDIA6 Q15084 1/20 0.31
RIPK2 O43353 1/20 0.30
KCNH2 Q12809 1/20 0.30
TNFRSF1A P19438 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
SCHEMBL8770611 0.84 LMNA (0.38) ALDH1A1HTTL3MBTL1
SCHEMBL1038478 0.79 ALDH1A1 (0.36) ALDH1A1HPGDHTTSMN1; SMN2L3MBTL1
SCHEMBL3867685 0.77 ALDH1A1 (0.35) ALDH1A1HPGDSMN1; SMN2TSHRTNFRSF1A
SCHEMBL646150 0.76 PTGER4 (0.35) ALDH1A1TSHR
SCHEMBL4725328 0.75 ALDH1A1 (0.47) ALDH1A1EGFRHPGDHTTSMN1; SMN2
SCHEMBL644166 0.75 VCAM1 (0.36) ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL1036538 0.75 ALDH1A1 (0.33) ALDH1A1HPGDSMN1; SMN2TSHRTNFRSF1A
SCHEMBL16021172 0.74 ALDH1A1 (0.39) ALDH1A1HPGDHTTSMN1; SMN2L3MBTL1
SCHEMBL7962687 0.72 ALDH1A1 (0.46) ALDH1A1HPGDHTTSMN1; SMN2L3MBTL1
SCHEMBL7962617 0.71 ALDH1A1 (0.41) ALDH1A1HTTSMN1; SMN2L3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102036968-B Pyrazole compounds, process for their production and herbicides containing them ISHIHARA SANGYO KAISHA 2013-06-05 CN disclosed
CN-101331119-B Benzoylpyrazole compounds and herbicides containing them ISHIHARA SANGYO KAISHA 2012-12-12 CN disclosed
CN-102702045-A Benzoylpyrazole compound and herbicide comprising the same ISHIHARA SANGYO KAISHA 2012-10-03 CN disclosed
CN-102036968-A Pyrazole compounds, process for their production and herbicides containing them ISHIHARA SANGYO KAISHA 2011-04-27 CN disclosed
EP-2103215-A1 HERBICIDE CONTAINING BENZOYLPYRAZOLE COMPOUND ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-09-23 EP disclosed