SCHEMBL725918

SCHEMBL725918

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

nearest known ligand 0.36

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
MLYCD O95822 3/20 0.33
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL725919 0.95 LMNA (0.32) MLYCDCYP1A2TSHRCYP2C19SMN1; SMN2
SCHEMBL725920 0.91 LMNA (0.33) MLYCDCYP1A2TSHRCYP2C19SMN1; SMN2
SCHEMBL727274 0.83 MLYCD (0.39) MLYCD
SCHEMBL726029 0.77 MLYCD (0.37) MLYCDSMN1; SMN2LMNAHTT
SCHEMBL9681297 0.74 CES2 (0.48) LMNA
SCHEMBL10947586 0.73 HPGD (0.44) MLYCDSMN1; SMN2LMNAHTT
SCHEMBL727459 0.73 GSR (0.46) SMN1; SMN2LMNAHTT
SCHEMBL725493 0.73 ALDH1A1 (0.39) MLYCDTSHRSMN1; SMN2LMNAHTT
SCHEMBL10103988 0.72 CA2 (0.46) MLYCDSMN1; SMN2LMNAHTT
SCHEMBL727293 0.71 ALDH1A1 (0.54) MLYCDTSHRSMN1; 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