SCHEMBL4368552

SCHEMBL4368552

C=C(C)C(=O)Oc1ccccc1[S+](C)C.COS(=O)(=O)[O-]

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

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
ACHE known ✓ P22303 3/20 0.32
CHRM1 known ✓ P11229 1/20 0.31
CHRM3 known ✓ P20309 1/20 0.31
ELANE P08246 1/20 0.38
ATM Q13315 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 5/20 0.33
LMNA P02545 3/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
BCHE P06276 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 2/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR1 P03372 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
SCHEMBL10594922 0.87 PTGS2 (0.42) TDP1ALDH1A1LMNAHPGDPOLB
SCHEMBL7901803 0.84 ELANE (0.41) ELANEATMTDP1ALDH1A1LMNA
SCHEMBL9853828 0.84 BCHE (0.36) ATMTDP1ALDH1A1LMNAHPGD
SCHEMBL5576290 0.76 ELANE (0.46) ELANEATMTDP1ALDH1A1LMNA
SCHEMBL9853827 0.75 KDM4E (0.31) ATMTDP1ALDH1A1LMNAHPGD
SCHEMBL29405469 0.74 ELANE (0.54) ELANEATMALDH1A1POLBACHE
Methacrylic Acid SCHEMBL4351173 0.74 BCHE (0.34) ELANEALDH1A1LMNAHPGDPOLB
SCHEMBL30803750 0.73 ELANE (0.56) ELANEATMTDP1ALDH1A1LMNA
SCHEMBL30803748 0.73 ELANE (0.56) ELANEATMTDP1ALDH1A1LMNA
SCHEMBL1232932 0.73 ELANE (0.56) ELANEATMTDP1ALDH1A1LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291310-A1 OPAL LATEX SUN CHEMICAL CORPORATION 2009-11-26 US disclosed
US-20080058499-A1 Three-dimensional periodic structure, three-dimensional periodic porous structure, and method for producing these KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2008-03-06 US disclosed
US-7252883-B2 Coated particles SEKISUI CHEMICAL CO., LTD. (JP) 2007-08-07 US disclosed
US-20060078736-A1 Three-dimensional periodic structure, three-dimensional periodic porous structure, and method for producing these KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2006-04-13 US disclosed
US-20040109995-A1 Coated particles SEKISUI CHEMICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1335389-A1 COATED PARTICLE SEKISUI CHEMICAL CO., LTD. (JP) 2003-08-13 EP disclosed
US-6238541-B1 ADHESION; CORROSION RESISTANCE; SURFACE TREATMENT NIPPON PAINT CO., LTD. (JP) 2001-05-29 US disclosed