SCHEMBL8734851

SCHEMBL8734851

CC(C)OP(C)(=O)COS(=O)(=O)c1c(Cl)cccc1C(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ITGB1 P05556 2/20 0.30
ITGA4 P13612 2/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8732325 0.91 TSHR (0.34) TSHRSMN1; SMN2L3MBTL1
SCHEMBL8734635 0.89 TSHR (0.34) TSHRSMN1; SMN2ITGB1ITGA4L3MBTL1
SCHEMBL8764462 0.88
SCHEMBL8732281 0.86 ELANE (0.33)
SCHEMBL8763987 0.86 SMN1; SMN2 (0.31) TSHRSMN1; SMN2ITGB1ITGA4
SCHEMBL8732291 0.86 TSHR (0.31) TSHRSMN1; SMN2ITGB1ITGA4
SCHEMBL8734645 0.86 NR3C1 (0.35) TSHRSMN1; SMN2L3MBTL1
SCHEMBL8764108 0.86 CYP1A2 (0.31) SMN1; SMN2
SCHEMBL8732175 0.85 TSHR (0.31) TSHRSMN1; SMN2
SCHEMBL8763841 0.85 NR1H4 (0.33) SMN1; SMN2ITGB1ITGA4

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