SCHEMBL6550404

SCHEMBL6550404

CCC(=O)C[S+]1CCCC(C)(C)C1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.34

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 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
THPO P40225 1/20 0.33
ALDH1A1 P00352 7/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 3/20 0.32
MEN1 O00255 2/20 0.32
CYP2C9 P11712 1/20 0.32
TP53 P04637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL6548794 0.93 CYP3A4 (0.34) KMT2ASMN1; SMN2LMNACYP3A4CYP2D6
SCHEMBL6549646 0.85 CYP3A4 (0.39) KMT2ASMN1; SMN2LMNACYP3A4CYP2D6
SCHEMBL6551068 0.84 ALDH1A1 (0.39) KMT2ASMN1; SMN2LMNACYP3A4CYP2D6
SCHEMBL6549607 0.78 HPGD (0.36) KMT2ALMNACYP3A4CYP2D6MAPK1
SCHEMBL6550786 0.77
SCHEMBL6723138 0.77 LMNA (0.36) KMT2ALMNACYP3A4CYP2D6MAPK1
SCHEMBL6726409 0.77 LMNA (0.36) KMT2ALMNACYP3A4CYP2D6MAPK1
SCHEMBL6734431 0.77 L3MBTL1 (0.39) KMT2ASMN1; SMN2LMNACYP3A4CYP2D6
SCHEMBL6549461 0.75 LMNA (0.37) KMT2ALMNACYP3A4CYP2D6MAPK1
SCHEMBL6551022 0.75 TSHR (0.37) KMT2ALMNACYP3A4CYP2D6MAPK1

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 3 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-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