SCHEMBL6551090

SCHEMBL6551090

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

nearest known ligand 0.40

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 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
APOBEC3A P31941 1/20 0.36
RECQL P46063 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 4/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
THPO P40225 1/20 0.36
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 2/20 0.34
HPGD P15428 1/20 0.34
CA1 P00915 1/20 0.33

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
SCHEMBL6551415 0.89 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL6550442 0.87 KMT2A (0.39) ALDH1A1KMT2AMEN1MAPTTDP1
SCHEMBL6549439 0.85 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1TDP1LMNA
SCHEMBL6551313 0.85 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1POLBRECQL
SCHEMBL6549313 0.85 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL6550680 0.84 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1TDP1L3MBTL1
SCHEMBL6731089 0.84 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1POLBRECQL
SCHEMBL6550458 0.82 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1RECQLTDP1
SCHEMBL6549549 0.81 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1POLBRECQL
SCHEMBL7536102 0.81 HSD11B1 (0.35) ALDH1A1KMT2AMEN1POLBMAPT

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 4 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
EP-1167349-A1 Chemical amplifying type positive resist composition and sulfonium salt SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-02 EP disclosed