SCHEMBL8732291

SCHEMBL8732291

CCP(=O)(COS(=O)(=O)c1c(Cl)cccc1C(C)C)OC(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ITGB1 P05556 1/20 0.30
ITGA4 P13612 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
SCHEMBL8729957 0.91 TSHR (0.34) TSHRSMN1; SMN2
SCHEMBL8764537 0.90
SCHEMBL8734635 0.88 TSHR (0.34) TSHRSMN1; SMN2ITGB1ITGA4
SCHEMBL8734851 0.86 TSHR (0.32) TSHRSMN1; SMN2ITGB1ITGA4
SCHEMBL8652680 0.86 NR3C1 (0.34) TSHRSMN1; SMN2
SCHEMBL8763987 0.85 SMN1; SMN2 (0.31) TSHRSMN1; SMN2ITGB1ITGA4
SCHEMBL8731819 0.85 ELANE (0.32)
SCHEMBL8732175 0.84 TSHR (0.31) TSHRSMN1; SMN2
SCHEMBL8763912 0.84 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL8734751 0.82 TSHR (0.32) TSHRSMN1; SMN2

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