SCHEMBL725919

SCHEMBL725919

CCN(CC)C(C)(C)C(=O)c1ccc([S+](C)C)cc1.COS(=O)(=O)O.COS(=O)(=O)[O-]

nearest known ligand 0.33

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 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
MLYCD O95822 2/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL725920 0.96 LMNA (0.33) LMNAHTTMLYCDCYP1A2TSHR
SCHEMBL725918 0.95 MLYCD (0.33) LMNAHTTMLYCDCYP1A2TSHR
SCHEMBL727274 0.79 MLYCD (0.39) MLYCD
SCHEMBL726029 0.76 MLYCD (0.37) LMNAHTTMLYCDSMN1; SMN2
SCHEMBL725494 0.75 ALDH1A1 (0.38) LMNAHTTTSHRSMN1; SMN2
SCHEMBL727294 0.74 ALDH1A1 (0.53) TSHRSMN1; SMN2
SCHEMBL727459 0.72 GSR (0.46) LMNAHTTSMN1; SMN2
SCHEMBL725495 0.71 ALDH1A1 (0.40) LMNAHTTTSHRSMN1; SMN2
SCHEMBL9681297 0.70 CES2 (0.48) LMNA
SCHEMBL10947586 0.70 HPGD (0.44) LMNAHTTMLYCDSMN1; SMN2

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-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
EP-2585431-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-01 EP disclosed
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed