SCHEMBL6729155

SCHEMBL6729155

CC(C)(C)C(=O)C[S+]1CCSCC1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 3/20 0.35
GHSR Q92847 1/20 0.33
HSD11B1 P28845 1/20 0.33
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MDM2 Q00987 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTPN7 P35236 1/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MCOLN3 Q8TDD5 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
SCHEMBL6548789 0.88 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ALMNAHSD11B1
SCHEMBL6550401 0.87 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ALMNAHSD11B1
SCHEMBL6734161 0.87 LMNA (0.38) ALDH1A1LMNAHPGDNPC1RAB9A
SCHEMBL6734521 0.86 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL6728423 0.85 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ALMNAHSD11B1
SCHEMBL6728341 0.85 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL6723138 0.83 LMNA (0.36) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL6727897 0.81 ALDH1A1 (0.35) ALDH1A1KMT2ALMNAHPGDRAB9A
SCHEMBL6726120 0.79 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL6723707 0.79 LMNA (0.39) ALDH1A1MEN1KMT2ALMNARAB9A

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
US-20040224251-A1 Positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-11 US disclosed
US-6548220-B2 Containing acid generator SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-15 US disclosed