SCHEMBL7265141

SCHEMBL7265141

CCC(OS(=O)(=O)c1ccc(C)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
STAT3 P40763 1/20 0.42
PPARG P37231 3/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
KMT2A Q03164 1/20 0.40
RECQL P46063 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
PPARA Q07869 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3064836 1.00 SMN1; SMN2 (0.43) SMN1; SMN2STAT3PPARGGAAALDH1A1
SCHEMBL1990107 1.00 SMN1; SMN2 (0.43) SMN1; SMN2STAT3PPARGGAAALDH1A1
SCHEMBL10572149 0.88 CA12 (0.44) STAT3PPARGGAAALDH1A1SLC1A3
SCHEMBL2325751 0.88 CA12 (0.44) STAT3PPARGGAAALDH1A1SLC1A3
SCHEMBL13433912 0.87 KMT2A (0.40) SMN1; SMN2STAT3PPARGGAAALDH1A1
SCHEMBL15669212 0.87 PSIP1 (0.42) SMN1; SMN2PPARGALDH1A1PPARA
SCHEMBL2363971 0.86 ALDH1A1 (0.46) SMN1; SMN2STAT3GAAALDH1A1KMT2A
SCHEMBL9306403 0.86 KDM4E (0.44) SMN1; SMN2STAT3PPARGGAAALDH1A1
SCHEMBL2328955 0.86 KMT2A (0.46) SMN1; SMN2STAT3GAAALDH1A1KMT2A
SCHEMBL2328962 0.85 PPARG (0.42) SMN1; SMN2STAT3PPARGGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014070092-A1 FUNCTIONALIZED CELLULOSE NANOCRYSTALS, A METHOD FOR THE PREPARATION THEREOF AND USE OF FUNCTIONALIZED CELLULOSE NANOCRYSTALS IN COMPOSITES AND FOR GRAFTING SWETREE TECHNOLOGIES AB (SE) 2014-05-08 WO disclosed
EP-0222413-B1 NOVEL FORSKOLIN DERIVATIVES NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-02-05 EP disclosed
US-4954642-A INOTROPIC, HYPOTENSIVE NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1990-09-04 US disclosed
EP-0222413-A2 Novel forskolin derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1987-05-20 EP disclosed