SCHEMBL4091796

SCHEMBL4091796

CC=CC(=O)CC[N+](C)(C)C.COS(=O)(=O)[O-]

nearest known ligand 0.37

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 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
BBOX1 O75936 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 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
SCHEMBL28118332 0.84 ACHE (0.39) POLBBBOX1ADRA2AADRA1AMAPT
SCHEMBL18690258 0.81 POLB (0.38) POLBBBOX1ADRA2AADRA1AMAPT
SCHEMBL16968101 0.78 CHRM1 (0.42) POLBADRA2AADRA1AMAPTBLM
SCHEMBL28229885 0.76 POLB (0.35) POLBBBOX1
SCHEMBL28096337 0.75 BBOX1 (0.33) BBOX1
SCHEMBL18690265 0.73 ACHE (0.41) POLBBBOX1ADRA2AADRA1AMAPT
SCHEMBL4091792 0.72 POLB (0.39) POLBBBOX1ADRA2AADRA1AMAPT
Choline SCHEMBL2590257 0.70 LMNA (0.52) POLBBBOX1ADRA2AADRA1AMAPT
SCHEMBL8169689 0.70 POLB (0.37) POLBBBOX1ADRA2AADRA1AMAPT
SCHEMBL14743745 0.69 BBOX1 (0.56) POLBBBOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090208692-A1 LIMITED LIFE OPTICAL MEDIA FLEXPLAY TECHNOLOGIES, INC. (US) 2009-08-20 US disclosed