SCHEMBL6671610

SCHEMBL6671610

CC(=O)OCC=CC(OC(C)=O)OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 4/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 3/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33
PTPN1 P18031 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
TBXA2R P21731 2/20 0.32
GALR3 O60755 1/20 0.31
BLM P54132 1/20 0.31
PGR P06401 1/20 0.30
HTR1A P08908 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
SCHEMBL10828046 1.00 TDP1 (0.38) TDP1ALDH1A1ALOX15TSHRLMNA
SCHEMBL10946900 0.82 TSHR (0.39) TDP1ALDH1A1ALOX15TSHRLMNA
SCHEMBL10946895 0.82 TSHR (0.39) TDP1ALDH1A1ALOX15TSHRLMNA
SCHEMBL13738589 0.80 ALDH1A1 (0.43) ALDH1A1ALOX15TSHRLMNAHSD17B10
SCHEMBL13738588 0.80 ALDH1A1 (0.43) ALDH1A1ALOX15TSHRLMNAHSD17B10
SCHEMBL10953136 0.80 ALDH1A1 (0.38) TDP1ALDH1A1ALOX15TSHRLMNA
SCHEMBL5072350 0.80 TDP1 (0.36) TDP1ALDH1A1ALOX15TSHRLMNA
SCHEMBL10953133 0.80 ALDH1A1 (0.38) TDP1ALDH1A1ALOX15TSHRLMNA
SCHEMBL11799668 0.78 ALDH1A1 (0.39) TDP1ALDH1A1ALOX15TSHRLMNA
SCHEMBL5498954 0.78 TSHR (0.39) TDP1ALDH1A1ALOX15TSHRLMNA

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 14 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-0904836-B1 Process for producing unsaturated glycol diester and solid catalyst based on Rh and Te MITSUBISHI CHEM CORP (JP) 2004-10-06 EP disclosed
EP-0904836-A2 Process for producing unsaturated glycol diester and solid catalyst based on Rh and Te Mitsubishi Chemical Corporation (JP) 1999-03-31 EP disclosed
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
EP-0110309-B1 PROCESS FOR THE PREPARATION OF 1,4-DIACYLOXY-1,3-BUTADIENES BASF Aktiengesellschaft (DE) 1986-02-19 EP disclosed
US-4529814-A Acyloxyalkadienoates and their preparation BASF AKTIENGESELLSCHAFT (DE) 1985-07-16 US disclosed
EP-0110309-A1 Process for the preparation of 1,4-diacyloxy-1,3-butadienes BASF Aktiengesellschaft (DE) 1984-06-13 EP disclosed
EP-0075234-A2 Acyloxyalkadienecarboxylic-acid esters and process for their preparation BASF Aktiengesellschaft (DE) 1983-03-30 EP disclosed
US-4284796-A Preparation of 4-acyloxy-2-methyl-crotonaldehydes BASF AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed
EP-0010656-B1 PROCESS FOR THE PREPARATION OF 4-ACYLOXY-2-METHYLCROTONALDEHYDES BASF Aktiengesellschaft (DE) 1981-04-22 EP disclosed
EP-0010656-A1 Process for the preparation of 4-acyloxy-2-methylcrotonaldehydes BASF Aktiengesellschaft (DE) 1980-05-14 EP disclosed