SCHEMBL8529494

SCHEMBL8529494

C=CC(=O)NC(CC)S(=O)(=O)O.C=CP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP8 P22894 1/20 0.33
CA9 Q16790 1/20 0.33
MMP3 P08254 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL34026 0.90 TSHR (0.48) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL28077512 0.90 TSHR (0.48) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL4613630 0.88 TSHR (0.47) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
Acrylamide SCHEMBL10876018 0.83 TSHR (0.42) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL11695122 0.82 TSHR (0.41) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
Methacrylic Acid SCHEMBL7927029 0.78 TSHR (0.38) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL30996180 0.78 TSHR (0.44) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL21951 0.78 TSHR (0.44) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
Ammonia Solution, Strong SCHEMBL139207 0.77 TSHR (0.42) TSHRZDHHC20ZDHHC2ALDH1A1MAPK1
SCHEMBL27662774 0.75 ZDHHC20 (0.46) TSHRZDHHC20ZDHHC2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725084-B1 Process for preparing high molecular weight polymers BASF AG (DE) 1998-10-28 EP disclosed
EP-0780401-A1 Process for preparing polymers by emulsion polymerization BASF AKTIENGESELLSCHAFT (DE) 1997-06-25 EP disclosed
EP-0725084-A1 Process for preparing high molecular weight polymers BASF Aktiengesellschaft (DE) 1996-08-07 EP disclosed