SCHEMBL6506673

SCHEMBL6506673

CCC([C]=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 6/20 0.40
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
IDO1 P14902 1/20 0.38
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
AGXT P21549 1/20 0.36

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
SCHEMBL10799863 0.83 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL27667900 0.83 MAOB (0.42) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL5966531 0.83 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1KMT2AMEN1
Fluoride SCHEMBL27667734 0.81 MAOB (0.41) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL7270008 0.81 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL17786890 0.79 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL6141169 0.77 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL6239307 0.77 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL7364725 0.75 L3MBTL1 (0.53) TDP1L3MBTL1
SCHEMBL2067113 0.75 TSHR (0.44) SLC1A3SLC1A2SLC1A1KMT2AMEN1

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-1001943-B1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-12-17 EP claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
EP-3965884-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF Aligos Therapeutics, Inc. (US) 2022-03-16 EP disclosed
WO-2020227549-A1 MODULATORS OF THR-β AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2020-11-12 WO disclosed
WO-2005082892-A2 TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-09-09 WO disclosed
EP-1001943-B1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-12-17 EP disclosed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US disclosed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP disclosed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO disclosed