SCHEMBL724271

SCHEMBL724271

C=CCNCCCC(C(=O)[O-])(C(C)(C)C(=O)O)[N+](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 5/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
BBOX1 O75936 1/20 0.31
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
POLB P06746 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
SCHEMBL18037750 0.76 BBOX1 (0.34) ALDH1A1BBOX1
Acetic Acid SCHEMBL3795595 0.75 ALDH1A1 (0.33) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL4611396 0.72 CES2 (0.36) ALDH1A1KMT2AMEN1
SCHEMBL3477943 0.71 ALDH1A1 (0.35) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL7132370 0.70 BBOX1 (0.36) ALDH1A1GAAKDM4EKMT2AMEN1
Ammonia Solution, Strong SCHEMBL27513941 0.69 ALDH1A1 (0.35) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL12912359 0.67 ALDH1A1 (0.36) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL9818482 0.66 KMT2A (0.39) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL623453 0.66 ALDH1A1 (0.33) ALDH1A1GAAKDM4EKMT2AMEN1
SCHEMBL793890 0.64 FAAH (0.35) CYP1A2CYP3A4CYP2D6CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4534877-A QUATERNARY AMMONIUM ANDIMIDAZOLINUM SALTS THE PROCTER & GAMBLE COMPANY (US) 1985-08-13 US claimed
EP-0102736-A1 Shampoo compositions and method of cleaning hair therewith THE PROCTER & GAMBLE COMPANY (US) 1984-03-14 EP claimed
EP-3237074-A1 MULTI-LAYER SELF-ADHESIVE GEL AND APPLICATOR Henkel AG & Co. KGaA (DE) 2017-11-01 EP disclosed
US-20170283743-A1 MULTI-LAYER SELF-ADHESIVE GEL AND APPLICATOR HENKEL AG & CO. KGAA (DE) 2017-10-05 US disclosed
US-20160251840-A1 DEVICE FOR DISPENSING AN ACTIVE-SUBSTANCE PREPARATION INTO A TOILET BOWL HENKEL AG & CO. KGAA (DE) 2016-09-01 US disclosed
WO-2016102345-A1 MULTI-LAYER SELF-ADHESIVE GEL AND APPLICATOR HENKEL AG & CO. KGAA (DE) 2016-06-30 WO disclosed
US-8987182-B2 Spherical toilet cleaner blocks, method for the production thereof, and cleaning holder comprising spherical toilet cleaner blocks HENKEL AG & CO. KGAA (DE) 2015-03-24 US disclosed
US-20120047640-A1 SPHERICAL TOILET CLEANER BLOCKS, METHOD FOR THE PRODUCTION THEREOF, AND CLEANING HOLDER COMPRISING SPHERICAL TOILET CLEANER BLOCKS HENKEL AG & CO. KGAA (DE) 2012-03-01 US disclosed