SCHEMBL8075012

SCHEMBL8075012

CCOC(=O)C(O)(CBr)CCCCCCOCc1cc(OC)cs1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BCHE P06276 2/20 0.30
ACHE P22303 2/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 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
SCHEMBL8059314 0.93 CYP4F2 (0.33) TBXAS1ALDH1A1L3MBTL1CYP4F2CYP4A11
SCHEMBL8059386 0.80 ALDH1A1 (0.38) ALDH1A1L3MBTL1CYP3A4HPGD
SCHEMBL8070311 0.75 CYP1A2 (0.40) TBXAS1L3MBTL1CYP4F2CYP4A11
SCHEMBL8074868 0.73 TBXAS1 (0.47) TBXAS1ALDH1A1L3MBTL1HPGD
SCHEMBL8073700 0.72 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP4F2CYP4A11HPGD
SCHEMBL8059319 0.70 CYP1A2 (0.39) CYP4F2CYP4A11
SCHEMBL8068601 0.68 CYP1A2 (0.40) TBXAS1L3MBTL1CYP4F2CYP4A11
SCHEMBL8070650 0.66 L3MBTL1 (0.45) ALDH1A1L3MBTL1CYP3A4
SCHEMBL8073201 0.65 CYP4F2 (0.32) CYP4F2CYP4A11
SCHEMBL8059315 0.63 CYP4F2 (0.31) CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030993-A INHIBITORS OF CARNITINE PALMITOYL TRANSFERASE; ANTIDIABETIC,-LIPEMIC AND HYPOGLYCEMIC AGENTS; SIDE EFFECT REDUCTION SANG SUP JEW (KR) 2000-02-29 US disclosed
WO-1998000389-A1 2-HYDROXYPROPIONIC ACID DERIVATIVE AND ITS MANUFACTURING METHOD JEW SANG SUP (KR) 1998-01-08 WO disclosed