SCHEMBL8519852

SCHEMBL8519852

C=CC[N+](CC=C)(CC=C)CC=C.O=C([O-])CS(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.49
MMP7 P09237 2/20 0.49
MMP14 P50281 2/20 0.49
HSD11B1 P28845 8/20 0.45
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
S1PR2 O95136 1/20 0.41
LMNA P02545 1/20 0.41
PRNP P04156 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41

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
SCHEMBL6552546 0.82 MMP2 (0.63) MMP2MMP7MMP14HSD11B1MMP1
SCHEMBL6552241 0.82 MMP2 (0.63) MMP2MMP7MMP14HSD11B1MMP1
SCHEMBL10712820 0.82 MMP2 (0.63) MMP2MMP7MMP14HSD11B1MMP1
SCHEMBL6553655 0.82 MMP2 (0.63) MMP2MMP7MMP14HSD11B1MMP1
SCHEMBL6553659 0.82 MMP2 (0.63) MMP2MMP7MMP14HSD11B1MMP1
Zinc Ion SCHEMBL6553415 0.82 MMP2 (0.63) MMP2MMP7MMP14HSD11B1MMP1
Tetramethylammonium Ion SCHEMBL2290151 0.80 HSD11B1 (0.58) MMP2MMP7MMP14HSD11B1MMP1
SCHEMBL27528942 0.77 HTR6 (0.37) ALDH1A1HSD17B10SMN1; SMN2LMNAMAPK1
Benzoic Acid SCHEMBL18797797 0.74 CA2 (0.57) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL5144168 0.72 TDP1 (0.53) MMP2MMP7MMP14HSD11B1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605285-B1 Tetra-alkylammonium phenylsulfonylacetate thermal-dye-bleach agents MINNESOTA MINING & MFG (US) 1999-09-08 EP disclosed
EP-0605285-A1 Tetra-alkylammonium phenylsulfonylacetate thermal-dye-bleach agents MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-07-06 EP disclosed