SCHEMBL4585181

SCHEMBL4585181

Cc1ccc([S+](c2ccccc2)c2ccccc2)c(C)c1C.O=S(=O)([O-])c1ccccc1

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

CHRNA1CHRNB1CHRNDCHRNECHRNG

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
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PSIP1 O75475 1/20 0.32
HTR6 P50406 1/20 0.31
ABCB1 P08183 1/20 0.31
ABCC1 P33527 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
CYTH2 Q99418 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 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
SCHEMBL547503 0.94 BCHE (0.38) LMNATDP1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL31072151 0.94 BCHE (0.38) LMNATDP1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3759626 0.85 TSHR (0.35) LMNAACHE
SCHEMBL6761317 0.82 TDP1 (0.39) LMNATDP1ALDH1A1SMN1; SMN2POLB
SCHEMBL6036449 0.78 CA1 (0.33)
SCHEMBL5829971 0.78 FABP4 (0.38) LMNATDP1ALDH1A1GAA
SCHEMBL137132 0.77 HTR6 (0.46) LMNATDP1ALDH1A1SMN1; SMN2POLB
SCHEMBL4861374 0.77 RAPGEF4 (0.40) LMNATDP1ALDH1A1SMN1; SMN2POLB
P-Xylene SCHEMBL3404430 0.76 GAA (0.46) LMNATDP1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3127290 0.76 CA12 (0.40) LMNATDP1ALDH1A1SMN1; SMN2L3MBTL1

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-1509814-A4 ACETAL PROTECTED POLYMERS AND PHOTORESISTS COMPOSITIONS THEREOF FUJIFILM ELECTRONIC MATERIALS (US) 2008-08-27 EP disclosed
EP-1885819-A2 PRETREATMENT COMPOSITIONS FujiFilm Electronic Materials USA, Inc. (US) 2008-02-13 EP disclosed
WO-2006132906-A2 PRETREATMENT COMPOSITIONS FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2006-12-14 WO disclosed
EP-1509814-A2 ACETAL PROTECTED POLYMERS AND PHOTORESISTS COMPOSITIONS THEREOF Arch Specialty Chemicals, Inc. (US) 2005-03-02 EP disclosed
WO-2003099782-A2 ACETAL PROTECTED POLYMERS AND PHOTORESISTS COMPOSITIONS THEREOF ARCH SPECIALTY CHEMICALS, INC. (US) 2003-12-04 WO disclosed