SCHEMBL8591965

SCHEMBL8591965

CCCCOC(=O)OC(=O)C(CCC(C)C)NC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ EPHX1 P07099 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ NAAA Q02083 1/20 0.35
▸ HPGD P15428 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ ACHE P22303 6/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7375877 0.86 EPHX1 (0.41) ALDH1A1EPHX1ATMNAAAHPGD
SCHEMBL18248174 0.79 POLB (0.36) ALDH1A1EPHX1ATMNAAAHPGD
SCHEMBL7389962 0.79 ALDH1A1 (0.44) ALDH1A1EPHX1ATMNAAAHPGD
SCHEMBL8694244 0.75 ALDH1A1 (0.50) ALDH1A1EPHX1ATMNAAAHPGD
SCHEMBL10606733 0.73 CTSK (0.41) ALDH1A1EPHX1
SCHEMBL8710843 0.73 TSHR (0.46) ALDH1A1RAB9AL3MBTL1TSHR
SCHEMBL5491470 0.73 ATM (0.54) ALDH1A1EPHX1ATMNAAAHPGD
SCHEMBL10709704 0.72 ESR1 (0.47) SMN1; SMN2TSHRNPSR1
SCHEMBL16298724 0.72 EPHX1 (0.46) ALDH1A1EPHX1ATMHPGDRAB9A
SCHEMBL13519757 0.72 EPHX1 (0.46) ALDH1A1EPHX1ATMHPGDRAB9A

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-0792150-A4 2-(2,3,5,6-TETRAFLUORO-4-PYRIDYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP INC (US) 1998-03-11 — — EP disclosed
EP-0792150-A1 2-(2,3,5,6-TETRAFLUORO-4-PYRIDYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1997-09-03 — — EP disclosed
WO-1996016654-A1 2-(2,3,5,6-TETRAFLUORO-4-PYRIDYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDES AND COMPOSITIONS AND METHOD OF USE THEREOF SANOFI WINTHROP, INC. (US) 1996-06-06 — — WO disclosed
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