SCHEMBL8548860

SCHEMBL8548860

C=CC(=O)OCCN(CCOC(=O)C=C)C(=O)c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
POLB P06746 7/20 0.44
L3MBTL1 Q9Y468 6/20 0.44
MAPT P10636 5/20 0.44
RECQL P46063 5/20 0.44
PKM P14618 4/20 0.44
GAA P10253 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
THRB P10828 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GFER P55789 1/20 0.40
LMNA P02545 3/20 0.39
HPGD P15428 3/20 0.39
BLM P54132 2/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 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
SCHEMBL434646 0.80 ALDH1A1 (0.51) ALDH1A1MAPTTHRBMEN1KMT2A
SCHEMBL28283977 0.77 ALDH1A1 (0.49) ALDH1A1MAPTTHRBMEN1KMT2A
SCHEMBL17959698 0.77 ALDH1A1 (0.51) ALDH1A1MAPTTHRBMEN1KMT2A
SCHEMBL27621634 0.75 ALDH1A1 (0.52) ALDH1A1POLBL3MBTL1MAPTRECQL
SCHEMBL28283978 0.74 THRB (0.44) ALDH1A1POLBL3MBTL1MAPTRECQL
SCHEMBL362234 0.74 ALDH1A1 (0.50) ALDH1A1POLBL3MBTL1MAPTRECQL
SCHEMBL14640214 0.72 TP53 (0.55) ALDH1A1POLBL3MBTL1MAPTRECQL
SCHEMBL8552986 0.72 ALDH1A1 (0.45) ALDH1A1POLBTHRBMEN1KMT2A
SCHEMBL8547550 0.72 TP53 (0.64) ALDH1A1L3MBTL1MAPTTDP1THRB
SCHEMBL21714525 0.72 THRB (0.51) ALDH1A1POLBL3MBTL1RECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5709935-A ACRYLATE FUNCTIONAL DILUENTS WHICH SOLUBILIZE AMINO RESINS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-01-20 US claimed
US-5736747-A SOLUBLE CURING AGENTS FOR PHENOLIC RESINS OR PHOTOPOLYMERIZABLE MONOMER MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-04-07 US disclosed
US-5733648-A FOR AMINOPLASTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-31 US disclosed
US-5710281-A Organic compounds suitable as reactive diluents and binder precursor compositions including same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-01-20 US disclosed
US-5709935-A ACRYLATE FUNCTIONAL DILUENTS WHICH SOLUBILIZE AMINO RESINS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-01-20 US disclosed