SCHEMBL10465481

SCHEMBL10465481

Cc1ccc(S(=O)(=O)OC(C)CC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
PPARG P37231 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
STAT3 P40763 1/20 0.42
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MDM2 Q00987 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
GAA P10253 2/20 0.38
LMNA P02545 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
SCHEMBL8557368 1.00 KDM4E (0.48) KDM4EPPARGKEAP1NFE2L2STAT3
SCHEMBL15669224 0.87 ADAMTS4 (0.42) ALDH1A1KMT2AMEN1GAASMN1; SMN2
SCHEMBL27710803 0.86 STAT3 (0.39) KDM4EPPARGKEAP1NFE2L2STAT3
SCHEMBL6461078 0.84 ALDH1A1 (0.44) STAT3ALDH1A1KMT2AMEN1NPC1
SCHEMBL26377127 0.83 KMT2A (0.43) KDM4EALDH1A1KMT2AMEN1RECQL
SCHEMBL24103379 0.83 ALDH1A1 (0.40) KDM4ESTAT3ALDH1A1KMT2AMEN1
SCHEMBL9306403 0.83 KDM4E (0.44) KDM4EPPARGKEAP1NFE2L2STAT3
SCHEMBL19404068 0.81 ALDH1A1 (0.43) STAT3ALDH1A1KMT2AMEN1RECQL
SCHEMBL8356278 0.81 ALDH1A1 (0.43) STAT3ALDH1A1KMT2AMEN1RECQL
SCHEMBL18209638 0.81 ALDH1A1 (0.43) STAT3ALDH1A1KMT2AMEN1RECQL

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
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
US-4968814-A THIOETHERIFICATION MERCK & CO., INC. (US) 1990-11-06 US disclosed