SCHEMBL5868554

SCHEMBL5868554

CCC(C=CCCO)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 4/20 0.32
SPHK1 Q9NYA1 4/20 0.32
MEN1 O00255 3/20 0.32
MAPT P10636 3/20 0.32
KMT2A Q03164 3/20 0.32
CETP P11597 3/20 0.32
GMNN O75496 2/20 0.32
LMNA P02545 2/20 0.32
GLA P06280 2/20 0.32
POLB P06746 2/20 0.32
THRB P10828 2/20 0.32
MAPK1 P28482 2/20 0.32
CXCR5 P32302 2/20 0.32
CCR6 P51684 2/20 0.32
BLM P54132 2/20 0.32
UBE2N P61088 2/20 0.32
CYP2D6 P10635 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 2/20 0.32
CYP2C19 P33261 2/20 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
SCHEMBL7535381 0.80
SCHEMBL16409472 0.80
SCHEMBL7535378 0.80
SCHEMBL14311020 0.77
SCHEMBL11772717 0.77
SCHEMBL3030896 0.75 SPHK2 (0.38) SPHK2SPHK1MEN1MAPTKMT2A
SCHEMBL3030901 0.75 SPHK2 (0.38) SPHK2SPHK1MEN1MAPTKMT2A
SCHEMBL5868418 0.73
SCHEMBL5868415 0.73
SCHEMBL9457903 0.71 SPHK2 (0.48) SPHK2SPHK1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN claimed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed
US-6998381-B2 Concentrated, stable, preferably clear, fabric softening composition containing amine fabric softener THE PROCTER & GAMBLE COMPANY (US) 2006-02-14 US disclosed
US-6630441-B2 Neutralized water insoluble amine fabric softener active containing at least two C6-C22 hydrocarbyl groups, no more than one being less than C12 and then the other at least C16; material that increases cationic charge density THE PROCTER & GAMBLE COMPANY 2003-10-07 US disclosed
US-6335315-B1 Concentrated fabric softening composition THE PROCTER & GAMBLE COMPANY 2002-01-01 US disclosed
US-6323172-B1 AQUEOUS COMPOSITION COMPRISING FABRIC SOFTENER, SELECTED PRINCIPAL SOLVENT, LOW MOLECULAR WEIGHT WATER SOLUBLE SOLVENT TO IMPROVE CLARITY, WATER SOLUBLE CALCIUM AND/OR MAGNESIUM SALT THE PROCTER & GAMBLE COMPANY 2001-11-27 US disclosed
EP-1002035-A1 CONCENTRATED, STABLE, PREFERABLY CLEAR, FABRIC SOFTENING COMPOSITION CONTAINING AMINE FABRIC SOFTENER THE PROCTER & GAMBLE COMPANY (US) 2000-05-24 EP disclosed
WO-1999006509-A1 CONCENTRATED, STABLE, PREFERABLY CLEAR, FABRIC SOFTENING COMPOSITION CONTAINING AMINE FABRIC SOFTENER THE PROCTER & GAMBLE COMPANY (US) 1999-02-11 WO disclosed
EP-0888424-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 EP disclosed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN disclosed
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP disclosed
EP-0839179-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 EP disclosed
WO-1998017756-A1 CONCENTRATED FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-04-30 WO disclosed
WO-1997034972-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-09-25 WO disclosed
WO-1997003170-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed