SCHEMBL7758027

SCHEMBL7758027

C=CCNC(=O)C(=O)OC(C)CC(C)(C)OOC(C)(C)CC(C)OC(=O)C(=O)NCC=C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PKM P14618 1/20 0.31
FAAH O00519 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL8615632 0.81 HTT (0.34) HTTHPGDALDH1A1GAASMN1; SMN2
SCHEMBL7759294 0.76 TDP1 (0.36) TSHR
SCHEMBL8619029 0.73 TSHR (0.41) HPGDALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL8616060 0.73 TSHR (0.41) ALDH1A1TSHR
SCHEMBL7756862 0.72 TDP1 (0.33) SMN1; SMN2
SCHEMBL7755964 0.72 TDP1 (0.33) SMN1; SMN2
SCHEMBL7757443 0.72
SCHEMBL7753387 0.72 TSHR (0.32) TSHR
SCHEMBL7753363 0.71
SCHEMBL6534614 0.69 TSHR (0.38) ALDH1A1TSHR

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-0850927-B1 Novel oxalic acid peroxide compositions and their uses ATOFINA CHEM INC (US) 2001-03-14 EP disclosed
US-5866712-A POLYMERIZATION AND CURING CATALYSTS ELF ATOCHEM NORTH AMERICA, INC. (US) 1999-02-02 US disclosed
EP-0850927-A1 Novel oxalic acid peroxide compositions and uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed