SCHEMBL6551220

SCHEMBL6551220

CC[S+](CC)CC(=O)C1CCCCC1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.46

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 6/20 0.43
KMT2A Q03164 2/20 0.41
ENPP3 O14638 2/20 0.40
ENPP1 P22413 2/20 0.40
ENPP2 Q13822 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
TSHR P16473 3/20 0.40
CYP3A4 P08684 1/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
LMNA P02545 1/20 0.39
EPHX2 P34913 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL6551229 0.99 ALDH1A1 (0.41) ALDH1A1KMT2AENPP3ENPP1ENPP2
SCHEMBL6551033 0.88 ALDH1A1 (0.40) ALDH1A1KMT2AENPP3ENPP1ENPP2
SCHEMBL6551285 0.87 ALDH1A1 (0.45) ALDH1A1KMT2AENPP3ENPP1ENPP2
SCHEMBL6550361 0.86 ALDH1A1 (0.39) ALDH1A1KMT2AENPP3ENPP1ENPP2
SCHEMBL6549183 0.85 ALDH1A1 (0.43) ALDH1A1KMT2AENPP3ENPP1ENPP2
SCHEMBL6735792 0.84 ALDH1A1 (0.43) ALDH1A1KMT2AENPP3ENPP1ENPP2
SCHEMBL6728663 0.84 ALDH1A1 (0.43) ALDH1A1KMT2AENPP3ENPP1ENPP2
SCHEMBL6551157 0.84 ALDH1A1 (0.43) ALDH1A1KMT2AENPP3ENPP1ENPP2
SCHEMBL6723630 0.82 ALDH1A1 (0.42) ALDH1A1KMT2AENPP3ENPP1ENPP2
SCHEMBL6549490 0.82 ALDH1A1 (0.41) ALDH1A1KMT2AENPP3ENPP1ENPP2

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
EP-1167349-B1 Chemical amplifying type positive resist composition SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
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
US-20020015913-A1 Chemical amplifying type positive resist composition and sulfonium salt SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-07 US disclosed
EP-1167349-A1 Chemical amplifying type positive resist composition and sulfonium salt SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-02 EP disclosed