SCHEMBL8068601

SCHEMBL8068601

CCOC(=O)C(O)(CO)CCCCCCOCc1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
CYP4F2 P78329 3/20 0.35
CYP4A11 Q02928 3/20 0.35
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
SIRT5 Q9NXA8 1/20 0.32
TBXAS1 P24557 1/20 0.32
HTT P42858 2/20 0.32
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL8070311 0.92 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19LMNATSHR
SCHEMBL8074794 0.90 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19LMNATSHR
SCHEMBL8070650 0.83 L3MBTL1 (0.45) TSHRL3MBTL1MEN1KMT2A
SCHEMBL8059319 0.82 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19LMNATSHR
SCHEMBL8074868 0.81 TBXAS1 (0.47) TBXAS1L3MBTL1KMT2A
SCHEMBL8073700 0.80 ALDH1A1 (0.39) TSHRCYP4F2CYP4A11POLBL3MBTL1
SCHEMBL8059314 0.75 CYP4F2 (0.33) CYP4F2CYP4A11TBXAS1L3MBTL1MAPT
SCHEMBL15412981 0.73 DRD2 (0.41) LMNASLC1A3SLC1A2SLC1A1TBXAS1
SCHEMBL15412571 0.73 DRD2 (0.41) LMNASLC1A3SLC1A2SLC1A1TBXAS1
SCHEMBL13610226 0.73 DRD2 (0.41) LMNASLC1A3SLC1A2SLC1A1TBXAS1

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