SCHEMBL4654696

SCHEMBL4654696

C=CC(C=C(CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CPB1 P15086 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2C19 P33261 2/20 0.37
GRIK1 P39086 3/20 0.32
GRIA2 P42262 2/20 0.32
GRIA4 P48058 2/20 0.32
GRIK3 Q13003 2/20 0.32
GRIK5 Q16478 2/20 0.32
GRIK2 Q13002 2/20 0.32
GRIA1 P42261 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
BLM P54132 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 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
SCHEMBL3240320 0.79 ALDH1A1 (0.39) TSHRGRIK1GRIA2GRIA4GRIK3
SCHEMBL3249472 0.78 GRIK1 (0.32) TSHRCYP2C19GRIK1GRIA2GRIA4
SCHEMBL14891395 0.74 TSHR (0.48) TSHRKDM4ECPB1ALOX15HSD17B10
SCHEMBL3249505 0.73 GRIK1 (0.39) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL342491 0.71 GRIK1 (0.53) TSHRKDM4ECPB1ALOX15HSD17B10
SCHEMBL190183 0.71
SCHEMBL1135819 0.70 ALDH1A1 (0.32) GRIK1GRIA2GRIA4GRIK3GRIK5
SCHEMBL134750 0.69
SCHEMBL11065456 0.69 TSHR (0.39) TSHRKDM4EALOX15HSD17B10CYP2C19
SCHEMBL137012 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735418-B1 SOFTENING LAUNDRY DETERGENT UNILEVER PLC (GB) 2008-11-26 EP disclosed
EP-1735418-A1 SOFTENING LAUNDRY DETERGENT Unilever Plc (GB) 2006-12-27 EP disclosed
US-7012054-B2 Softening laundry detergent UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2006-03-14 US disclosed
WO-2005054419-A1 SOFTENING LAUNDRY DETERGENT UNILEVER PLC (GB) 2005-06-16 WO disclosed
US-20050124528-A1 Softening laundry detergent UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2005-06-09 US disclosed
EP-0786517-B1 Detergent composition UNILEVER NV (NL) 2001-09-19 EP disclosed
EP-0786517-A1 Detergent composition UNILEVER N.V. (NL) 1997-07-30 EP disclosed