SCHEMBL2208652

SCHEMBL2208652

C=CCOC(=O)C(C)=NN

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
TSHR P16473 2/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
MAPK1 P28482 1/20 0.30
POLB P06746 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
SCHEMBL6838883 0.82 TSHR (0.39) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL149514 0.76
SCHEMBL29220303 0.76 TSHR (0.44) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL29710697 0.76
SCHEMBL4678968 0.76
SCHEMBL10410810 0.76 MAPT (0.38) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL10410813 0.76 MAPT (0.38) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL177943 0.75 CYP3A4 (0.48) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL8921614 0.74
SCHEMBL388555 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519622-A1 COMBINATION OF POLYMER AND SURFACTANT FOR IMPROVED LAUNDRY Rhodia (China) Co., Ltd. (CN) 2012-11-07 EP disclosed
US-20120264669-A1 COMBINATION OF POLYMER AND SURFACTANT FOR IMPROVED LAUNDRY RHODIA (CHINA) CO., LTD. (CN) 2012-10-18 US disclosed
WO-2011079459-A1 COMBINATION OF POLYMER AND SURFACTANT FOR IMPROVED LAUNDRY RHODIA (CHINA) CO., LTD. (CN) 2011-07-07 WO disclosed
US-6242404-B1 LONG CHAIN NONIONIC ALKOXYLATE SURFACTANT AND/OR AMPHOTERIC THAT IS ABLE TO GENERATE VERY LOW CRITICAL MICELLE CONCENTRATION VALUES IN WATER. RHODIA INC. 2001-06-05 US disclosed