SCHEMBL6551402

SCHEMBL6551402

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

nearest known ligand 0.41

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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
LMNA P02545 4/20 0.41
CYP2C9 P11712 3/20 0.41
TSHR P16473 2/20 0.41
ALB P02768 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNH2 Q12809 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 2/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
MCHR1 Q99705 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL6549220 0.96 ALDH1A1 (0.41) ALDH1A1LMNACYP2C9TSHRALB
SCHEMBL6551150 0.95 ALDH1A1 (0.43) ALDH1A1LMNACYP2C9TSHRALB
SCHEMBL6551160 0.92 ALDH1A1 (0.37) ALDH1A1LMNACYP2C9TSHRALB
SCHEMBL6550364 0.90 ALDH1A1 (0.40) ALDH1A1LMNACYP2C9TSHRALB
SCHEMBL6550752 0.87 ALDH1A1 (0.42) ALDH1A1LMNACYP2C9TSHRALB
SCHEMBL6550718 0.86 ALDH1A1 (0.41) ALDH1A1LMNACYP2C9TSHRALB
SCHEMBL6549549 0.85 ALDH1A1 (0.39) ALDH1A1LMNACYP2C9TSHRALB
SCHEMBL6550549 0.85 ALDH1A1 (0.43) ALDH1A1LMNACYP2C9TSHRALB
SCHEMBL6550353 0.85 ALDH1A1 (0.40) ALDH1A1LMNACYP2C9TSHRALB
SCHEMBL6550993 0.84 ALDH1A1 (0.39) ALDH1A1LMNACYP2C9TSHRALB

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