SCHEMBL9814322

SCHEMBL9814322

CCCCCCCCCCCC1NCCN1CCO

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 8/20 0.35
GLB1 P16278 1/20 0.35
GBA2 Q9HCG7 1/20 0.35
GNAO1 P09471 1/20 0.35
SPHK1 Q9NYA1 2/20 0.34
GUSB P08236 1/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 2/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL27506140 1.00 GBA1 (0.35) GBA1GLB1GBA2GNAO1SPHK1
SCHEMBL9133475 1.00 GBA1 (0.35) GBA1GLB1GBA2GNAO1SPHK1
SCHEMBL8430780 1.00 GBA1 (0.35) GBA1GLB1GBA2GNAO1SPHK1
Hydrochloric Acid SCHEMBL29572473 0.98 GNAO1 (0.37) GBA1GLB1GBA2GNAO1SPHK1
SCHEMBL11465123 0.92 FNTA (0.35) GLB1GBA2LMNAHSD17B10
SCHEMBL11465121 0.91 S1PR1 (0.38) GBA1GLB1GBA2GNAO1SPHK1
SCHEMBL11802574 0.91 S1PR1 (0.38) GBA1GLB1GBA2GNAO1SPHK1
Hydrochloric Acid SCHEMBL29649061 0.90 CNR1 (0.34) GBA1GLB1GBA2GNAO1LMNA
Hydrochloric Acid SCHEMBL29395955 0.90 CNR1 (0.34) GBA1GLB1GBA2GNAO1LMNA
Chloroacetic Acid SCHEMBL2110484 0.89 ALOX5 (0.35) GNAO1S1PR1S1PR3S1PR5ALDH1A1

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-0442965-A1 TOLUENE SULFONATE SALTS OF 2-ALKYL IMIDAZOLINES PPG INDUSTRIES, INC. (US) 1991-08-28 EP disclosed
US-5011937-A Internal and external antistatic agents for fibers PPG INDUSTRIES, INC. (US) 1991-04-30 US disclosed
US-4973616-A ANTISTATIC AGENTS FOR SYNTHETIC FIBERS AND PLASTICS PPG INDUSTRIES, INC. (US) 1990-11-27 US disclosed
WO-1990005724-A1 TOLUENE SULFONATE SALTS OF 2-ALKYL IMIDAZOLINES PPG INDUSTRIES, INC. (US) 1990-05-31 WO disclosed
US-4185098-A (COCO-AMINO)ALKYL PHOSPHONATE INNER SALT AND N,N-DIMETHYL-N-(3-LAUROYLAMIDOPROPYL)AMINE HOECHST AKTIENGESELLSCHAFT (DE) 1980-01-22 US disclosed