SCHEMBL8729957

SCHEMBL8729957

CCP(=O)(COS(=O)(=O)c1c(Cl)cccc1Cl)OC(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
CXCR2 P25025 2/20 0.31
KMT2A Q03164 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 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
SCHEMBL8652680 0.92 NR3C1 (0.34) TSHRSMN1; SMN2ALDH1A1L3MBTL1KMT2A
SCHEMBL8732291 0.91 TSHR (0.31) TSHRSMN1; SMN2
SCHEMBL8762813 0.88 KMT2A (0.31) KMT2A
SCHEMBL8734751 0.88 TSHR (0.32) TSHRSMN1; SMN2
SCHEMBL8734923 0.86 SMN1; SMN2 (0.38) TSHRSMN1; SMN2ALDH1A1L3MBTL1CXCR2
SCHEMBL8732237 0.85 HSD11B1 (0.32)
SCHEMBL8734981 0.85 ALDH1A1 (0.34) ALDH1A1L3MBTL1NR3C1PGR
SCHEMBL8732325 0.84 TSHR (0.34) TSHRSMN1; SMN2ALDH1A1L3MBTL1CXCR2
SCHEMBL9069741 0.83 ALDH1A1 (0.32) ALDH1A1L3MBTL1
SCHEMBL8734615 0.83 HSD17B10 (0.34) TSHRSMN1; SMN2ALDH1A1KMT2A

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
EP-0699390-B1 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM & HAAS (US) 1998-10-07 EP claimed
US-5500405-A Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1996-03-19 US claimed
EP-0699390-A2 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM AND HAAS COMPANY (US) 1996-03-06 EP claimed
EP-0699390-B1 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM & HAAS (US) 1998-10-07 EP disclosed
EP-0699390-A2 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM AND HAAS COMPANY (US) 1996-03-06 EP disclosed