SCHEMBL2563040

SCHEMBL2563040

C=C(C)C(=O)N[C@H](C(=O)OC)[C@@H](C)CC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
POLB P06746 2/20 0.45
NOS3 P29474 5/20 0.44
NOS1 P29475 5/20 0.44
NOS2 P35228 5/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TGFBR1 P36897 1/20 0.40

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
SCHEMBL2563038 1.00 HTT (0.46) HTTPOLBNOS3NOS1NOS2
SCHEMBL27726832 1.00 HTT (0.46) HTTPOLBNOS3NOS1NOS2
SCHEMBL3570317 0.84 CTSK (0.44) HTTPOLBNOS3NOS1NOS2
SCHEMBL3570314 0.84 CTSK (0.44) HTTPOLBNOS3NOS1NOS2
SCHEMBL8184466 0.82 ALDH1A1 (0.58) ALDH1A1TGFBR1
SCHEMBL8184467 0.82 ALDH1A1 (0.58) ALDH1A1TGFBR1
SCHEMBL5810975 0.82 POLB (0.49) HTTPOLBNOS3NOS1NOS2
SCHEMBL5810979 0.82 POLB (0.49) HTTPOLBNOS3NOS1NOS2
SCHEMBL27555226 0.82 CA12 (0.47) ALDH1A1MAPTTAS1R3TAS1R1TGFBR1
SCHEMBL7099645 0.82 CA12 (0.47) ALDH1A1MAPTTAS1R3TAS1R1TGFBR1

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
US-8313604-B2 Curable composition and temporary fixation method of member using it DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2012-11-20 US disclosed
EP-1900761-B1 CURABLE COMPOSITION AND METHOD FOR TEMPORAL FIXATION OF STRUCTURAL MEMBER USING THE SAME DENKI KAGAKU KOGYO KK (JP) 2012-06-13 EP disclosed
EP-2383303-A1 Curable composition and temporary fixation method of member using it DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2011-11-02 EP disclosed
CN-101213225-B Solidifying composition and method for temporary fixing of part by using the same DENKI KAGAKU KOGYO KK 2011-03-30 CN disclosed
US-20100012263-A1 CURABLE COMPOSITION AND METHOD FOR TEMPORAL FIXATION OF STRUCTURAL MEMBER USING THE SAME DENKI KAGAKU KOGYO KABUSHIKI KAISHA 2010-01-21 US disclosed
CN-101213225-A Solidifying composition and method for temporary fixing of part by using the same DENKI KAGAKU KOGYO KK (JP) 2008-07-02 CN disclosed
EP-1900761-A1 CURABLE COMPOSITION AND METHOD FOR TEMPORAL FIXATION OF STRUCTURAL MEMBER USING THE SAME DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2008-03-19 EP disclosed