SCHEMBL3758840

SCHEMBL3758840

C=CC(CCC=Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.47
GRIK1 P39086 3/20 0.43
GRIK2 Q13002 2/20 0.43
MAOB P27338 1/20 0.41
CYP1A2 P05177 2/20 0.40
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
TNKS O95271 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL27965598 0.81 PAM (0.55) PAMGRIK1GRIK2MAOBCYP1A2
SCHEMBL7108889 0.77 PAM (0.50) PAMGRIK1GRIK2MAOBCYP1A2
SCHEMBL7108885 0.77 PAM (0.50) PAMGRIK1GRIK2MAOBCYP1A2
SCHEMBL27978309 0.77 PAM (0.50) PAMGRIK1GRIK2MAOBCYP1A2
Acrylic Acid SCHEMBL28922564 0.76 PAM (0.46) PAMGRIK1GRIK2MAOBCYP1A2
SCHEMBL21855113 0.74 PAM (0.46) PAMGRIK1GRIK2MAOBALDH1A1
SCHEMBL20286655 0.73 PAM (0.48) PAMGRIK1GRIK2MAOBHTR2A
SCHEMBL16672544 0.73 ACE (0.45) GRIK1PPARASMN1; SMN2
SCHEMBL678472 0.72 MEN1 (0.42) PAMCYP1A2PPARDPPARAALDH1A1
Styrene SCHEMBL3758847 0.71 ALDH1A1 (0.50) GRIK1CYP1A2ALDH1A1LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7836630-B2 Method of protecting seeds treated with a phytotoxic agent MONSANTO TECHNOLOGY LLC (US) 2010-11-23 US claimed
EP-1566996-B1 METHOD OF PROTECTING SEEDS TREATED WITH A PHYTOTOXIC AGENT MONSANTO TECHNOLOGY LLC (US) 2009-11-11 EP claimed
WO-2004049778-A9 METHOD OF PROTECTING SEEDS TREATED WITH A PHYTOTOXIC AGENT MONSANTO TECHNOLOGY LLC (US) 2005-09-22 WO claimed
EP-1566996-A1 METHOD OF PROTECTING SEEDS TREATED WITH A PHYTOTOXIC AGENT Monsanto Technology LLC (US) 2005-08-31 EP claimed
US-20040118040-A1 Method of protecting seeds treated with a phytotoxic agent MONSANTO TECHNOLOGY, L.L.C. 2004-06-24 US claimed
WO-2004049778-A1 METHOD OF PROTECTING SEEDS TREATED WITH A PHYTOTOXIC AGENT MONSANTO TECHNOLOGY, LLC (US) 2004-06-17 WO claimed
EP-1566996-B1 METHOD OF PROTECTING SEEDS TREATED WITH A PHYTOTOXIC AGENT MONSANTO TECHNOLOGY LLC (US) 2009-11-11 EP disclosed