SCHEMBL7624677

SCHEMBL7624677

CCCCCCCCC=CCCCCCCCCOCCN(CCO)CCOCCCCCCCCC=CCCCCCCCC.COS(=O)(=O)O

nearest known ligand 0.54

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 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ EPHX2 P34913 2/20 0.40
▸ LPAR1 Q92633 2/20 0.39
▸ LPAR3 Q9UBY5 2/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ TRPV1 Q8NER1 2/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ FAAH O00519 1/20 0.39

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
SCHEMBL5880986 1.00 MEN1 (0.41) MEN1THRBHTTKMT2AMAPT
SCHEMBL3256990 0.91 MEN1 (0.44) MEN1THRBHTTKMT2AMAPT
SCHEMBL9229842 0.89 MEN1 (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL9005393 0.89 MEN1 (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL9229835 0.89 MEN1 (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL9005388 0.89 MEN1 (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL28336593 0.89 EPHX2 (0.41) MEN1THRBHTTKMT2AMAPT
SCHEMBL11143988 0.88 MEN1 (0.38) MEN1THRBHTTKMT2AMAPT
Sulfuric Acid SCHEMBL9773608 0.85 MEN1 (0.52) MEN1THRBHTTKMT2AMAPT
Sulfuric Acid SCHEMBL10924188 0.85 MEN1 (0.52) MEN1THRBHTTKMT2AMAPT

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-6395695-B1 LAUNDRY DETERGENT THE PROCTER & GAMBLE COMPANY 2002-05-28 — — US disclosed
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