SCHEMBL3867685

SCHEMBL3867685

COCCOc1c(S(C)(=O)=O)ccc(C(=O)c2ccc(S(C)(=O)=O)c(OCCOC)c2C)c1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.34
TNFRSF1A P19438 1/20 0.33
THRB P10828 2/20 0.32
THRA P10827 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
F2 P00734 2/20 0.31
PTGS2 P35354 1/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BTK Q06187 1/20 0.31
BCAT2 O15382 1/20 0.31
VCAM1 P19320 1/20 0.30
CXCR2 P25025 1/20 0.30
MAPK14 Q16539 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
SCHEMBL646150 0.90 PTGER4 (0.35) ALDH1A1TSHRMAPT
SCHEMBL644166 0.89 VCAM1 (0.36) ALDH1A1TSHRTHRBKDM4EHPGD
SCHEMBL1036538 0.89 ALDH1A1 (0.33) ALDH1A1TSHRTNFRSF1ATHRBTHRA
SCHEMBL645624 0.85 NR3C1 (0.31)
SCHEMBL1032996 0.84 SMN1; SMN2 (0.34) ALDH1A1TSHRKDM4ESMN1; SMN2HSD17B10
SCHEMBL30620729 0.84 SPR (0.41)
SCHEMBL30042076 0.84 SMN1; SMN2 (0.34) ALDH1A1TSHRKDM4ESMN1; SMN2HSD17B10
SCHEMBL1037206 0.83 FPR1 (0.32)
SCHEMBL1035595 0.82 NR3C1 (0.34) ALDH1A1TSHRHSD17B10
SCHEMBL1034518 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102036968-A Pyrazole compounds, process for their production and herbicides containing them ISHIHARA SANGYO KAISHA 2011-04-27 CN claimed
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