SCHEMBL8528073

SCHEMBL8528073

OCC(CO)OCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
IDO1 P14902 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MGLL Q99685 1/20 0.40
FFAR1 O14842 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 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
SCHEMBL15391070 0.81 ABCB1 (0.38) TDP1NPC1RAB9AFFAR1TRPA1
SCHEMBL29598845 0.80 TRPA1 (0.46) TDP1CA1CA2CA9TSHR
SCHEMBL996386 0.79 TSHR (0.50) CA1CA2CA9TSHRSMN1; SMN2
SCHEMBL227684 0.78 TSHR (0.48) TDP1CA1CA2CA9L3MBTL1
SCHEMBL3163764 0.78 CA1 (0.47) TDP1CA1CA2CA9IDO1
SCHEMBL29344721 0.76 TSHR (0.47) TDP1CA1CA2CA9L3MBTL1
SCHEMBL11147758 0.76 TDP1 (0.41) TDP1CA1CA2CA9NPC1
SCHEMBL902924 0.76 TDP1 (0.54) TDP1CA1CA2CA9TSHR
SCHEMBL94897 0.75 TDP1 (0.43) TDP1CA1CA2CA9TSHR
SCHEMBL8370117 0.75 TDP1 (0.48) TDP1CA1CA2CA9TSHR

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
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
CN-1219953-A Fabric softening compound/composition PROCTER & GAMBLE (US) 1999-06-16 CN disclosed
CN-1196082-A Concentrated stable fabric softening compositions comprising chelants PROCTER & GAMBLE (US) 1998-10-14 CN 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
US-5747443-A BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-05-05 US disclosed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed