SCHEMBL9788191

SCHEMBL9788191

CCCC(CC(=O)OCC)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 4/20 0.40
TRPA1 O75762 1/20 0.40
CYP1A2 P05177 2/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PKM P14618 2/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4163475 0.91 MEN1 (0.43) MEN1KMT2AGAAMGAMSI
SCHEMBL1075781 0.89 MEN1 (0.44) MEN1KMT2AGAAMGAMSI
SCHEMBL10992850 0.87 GAA (0.50) MEN1KMT2AGAAMGAMSI
SCHEMBL2353115 0.85 MEN1 (0.61) MEN1KMT2AGAAMGAMSI
SCHEMBL7698281 0.82 MEN1 (0.42) MEN1KMT2AGAAMGAMSI
SCHEMBL7512444 0.81 MEN1 (0.52) MEN1KMT2AGAAMGAMSI
SCHEMBL12215808 0.81 MEN1 (0.44) MEN1KMT2AGAAMGAMSI
SCHEMBL27264813 0.79 KMT2A (0.43) MEN1KMT2AGAAMGAMSI
SCHEMBL11174634 0.79 MEN1 (0.50) MEN1KMT2AGAAMGAMSI
SCHEMBL8053447 0.79 MEN1 (0.50) MEN1KMT2AGAAMGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985582-A CHEMICAL INTERMEDIATES FOR BICYCLIC RING COMPOUNDS HAVING MULTIPLE SULFUR ATOMS IN THE RING SYSTEM THE WELLCOME FOUNDATION LTD. (GB) 1991-01-15 US disclosed
US-4684396-A Triazole and imidazole compounds useful as plant growth regulators and fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-08-04 US disclosed
EP-0216625-A2 Pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1987-04-01 EP disclosed
EP-0153797-A1 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-09-04 EP disclosed