SCHEMBL11235995

SCHEMBL11235995

COC(=O)C(=O)COC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
FAAH O00519 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34

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
SCHEMBL351718 0.76 ALDH1A1 (0.48) ALDH1A1HSD17B10LMNAFAAHSMN1; SMN2
SCHEMBL4642316 0.76 ALDH1A1 (0.48) ALDH1A1HSD17B10LMNAFAAHSMN1; SMN2
SCHEMBL3941105 0.76
Ethyl Acetate SCHEMBL28441620 0.75 ALDH1A1 (0.61) ALDH1A1HSD17B10LMNASMN1; SMN2MGAM
SCHEMBL10986742 0.74 ALDH1A1 (0.46) ALDH1A1HSD17B10LMNAFAAHSMN1; SMN2
SCHEMBL2607864 0.74
SCHEMBL28238199 0.74 ALDH1A1 (0.46) ALDH1A1HSD17B10LMNAFAAHSMN1; SMN2
SCHEMBL4645361 0.72 ALDH1A1 (0.43) ALDH1A1HSD17B10LMNAFAAHSMN1; SMN2
SCHEMBL4642312 0.72 ALDH1A1 (0.43) ALDH1A1HSD17B10LMNAFAAHSMN1; SMN2
SCHEMBL9311644 0.72 ALDH1A1 (0.43) ALDH1A1HSD17B10LMNAFAAHSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0000383-B1 PYRIMIDO (4,5-C) PYRIDAZINES, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESS FOR THEIR PREPARATION THE WELLCOME FOUNDATION LIMITED (GB) 1982-10-13 EP disclosed
EP-0000382-B1 PYRIMIDO (4,5-C)PYRIDAZINES, COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION THE WELLCOME FOUNDATION LIMITED (GB) 1982-10-06 EP disclosed
US-4329362-A INHIBITORS OF DIHYDROPTEROIC AND BIOSYNTHESES BURROUGHS WELLCOME CO. (US) 1982-05-11 US disclosed
US-4323679-A CHEMICAL INTERMEDIATES BURROUGHS WELLCOME CO. (US) 1982-04-06 US disclosed
US-4303789-A INHIBITORS OF DIHYDROPTERIC ACID AND BIOSYNTHESIS BURROUGHS WELLCOME CO. (US) 1981-12-01 US disclosed
US-4303790-A INHIBITORS OF DIHYDROPTERIC ACID AND BIOSYNTHESIS BURROUGHS WELLCOME CO. (US) 1981-12-01 US disclosed
US-4302587-A INTERMEDIATE FOR ENZYME INHIBITING PYRIMIDO(4,5-C)PYRIDAZINES BURROUGHS WELLCOME CO. (US) 1981-11-24 US disclosed
US-4255427-A TREATMENT OF COCCIDIOSIS IN POULTRY BURROUGHS WELLCOME CO. (US) 1981-03-10 US disclosed
US-4225710-A ENZYME INHIBITORS BURROUGHS WELLCOME CO. (US) 1980-09-30 US disclosed
EP-0000382-A1 Pyrimido (4,5-c)pyridazines, compositions containing them and processes for their preparation THE WELLCOME FOUNDATION LIMITED (GB) 1979-01-24 EP disclosed
EP-0000383-A1 Pyrimido (4,5-c) pyridazines, their use in pharmaceutical preparations, and process for their preparation THE WELLCOME FOUNDATION LIMITED (GB) 1979-01-24 EP disclosed