SCHEMBL8773296

SCHEMBL8773296

CC(=O)OCCC=C(OC(C)=O)OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 7/20 0.41
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
TSHR P16473 2/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRNB2 P17787 1/20 0.40
TBXA2R P21731 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40
GALR3 O60755 2/20 0.39

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
SCHEMBL4740513 0.79 ALOX15 (0.68) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL3056482 0.79 ALOX15 (0.44) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL1696441 0.74 ALOX15 (0.47) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL406199 0.74 ALOX15 (0.47) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL1906626 0.74 ALDH1A1 (0.50) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL1906628 0.74 ALDH1A1 (0.50) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL553240 0.72 ALOX15 (0.46) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL553242 0.72 ALOX15 (0.46) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL5074549 0.72 ALDH1A1 (0.45) ALDH1A1TSHRGAAHSD17B10LMNA
SCHEMBL11652667 0.72 ALDH1A1 (0.45) ALDH1A1TSHRGAAHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5429721-A Process for preparing diacetoxybutene MITSUBISHI CHEMICAL CORPORATION (JP) 1995-07-04 US claimed
EP-0625503-A1 Process for preparing diacetoxybutene Mitsubishi Chemical Corporation (JP) 1994-11-23 EP claimed
EP-0625503-B1 Process for preparing diacetoxybutene MITSUBISHI CHEM CORP (JP) 1997-09-03 EP disclosed
US-5429721-A Process for preparing diacetoxybutene MITSUBISHI CHEMICAL CORPORATION (JP) 1995-07-04 US disclosed
EP-0625503-A1 Process for preparing diacetoxybutene Mitsubishi Chemical Corporation (JP) 1994-11-23 EP disclosed