SCHEMBL8604366

SCHEMBL8604366

CC(CCO)CC(C)CCO

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.50
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 3/20 0.38
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
DPP4 P27487 1/20 0.32
MAPK1 P28482 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
SCHEMBL2231684 0.91 TSHR (0.46) TRPA1ALDH1A1ALOX15TSHRTHRB
SCHEMBL25416195 0.88 TRPA1 (0.43) TRPA1ALDH1A1ALOX15TSHR
SCHEMBL26038 0.88 TSHR (0.57) TRPA1ALDH1A1ALOX15TSHRTDP1
SCHEMBL963231 0.88 TRPA1 (0.43) TRPA1ALDH1A1ALOX15TSHR
SCHEMBL26977085 0.88 ALDH1A1 (0.44) TRPA1ALDH1A1ALOX15TSHRMAPK1
SCHEMBL130260 0.87
SCHEMBL1911085 0.87
SCHEMBL25575184 0.86 TRPA1 (0.42) TRPA1ALDH1A1ALOX15TSHR
SCHEMBL23561576 0.86 TSHR (0.55) TRPA1ALDH1A1ALOX15TSHR
SCHEMBL28762 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1997003170-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed