SCHEMBL2964610

SCHEMBL2964610

CC(C)c1ccc(S(=O)(=O)[O-])c(C(C)C)c1C(C)C.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.37
MMP2 P08253 3/20 0.37
MMP8 P22894 3/20 0.37
MMP12 P39900 3/20 0.37
MMP14 P50281 3/20 0.37
MMP16 P51512 3/20 0.37
MMP3 P08254 2/20 0.37
MMP9 P14780 2/20 0.37
ALDH1A1 P00352 4/20 0.35
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 1/20 0.35
CNR1 P21554 2/20 0.35
P2RY2 P41231 2/20 0.34
P2RY4 P51582 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 2/20 0.34

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
SCHEMBL2965340 0.95 GAA (0.37) MMP13MMP2MMP8MMP12MMP14
SCHEMBL5432922 0.92 LMNA (0.35) MMP13MMP2MMP3MMP9P2RY4
SCHEMBL1051065 0.90 CA12 (0.31) L3MBTL1
SCHEMBL2958639 0.86 ALDH1A1 (0.32) ALDH1A1P2RY2P2RY4GAAHTT
SCHEMBL2965483 0.81 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL7024192 0.79 ALDH1A1 (0.35) ALDH1A1GAAHTTLMNASMN1; SMN2
SCHEMBL2964758 0.76 PKM (0.48) MMP13MMP2MMP8MMP9ALDH1A1
SCHEMBL30727537 0.76 PKM (0.47) MMP13MMP2MMP8MMP9ALDH1A1
SCHEMBL1089895 0.76 PKM (0.52) MMP13MMP2MMP8MMP12MMP14
SCHEMBL9164110 0.76 SLC9A1 (0.33) ALDH1A1LMNATDP1L3MBTL1

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
US-7759045-B2 Chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-20 US disclosed
US-20090004601-A1 Chemically amplified positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-01 US disclosed
US-6893794-B2 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 US disclosed
US-20040018445-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-01-29 US disclosed
US-20030068573-A1 Chemical amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-10 US disclosed