SCHEMBL8552986

SCHEMBL8552986

C=CC(=O)OCCN(CCOC(=O)C=C)C(=O)c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 2/20 0.42
THRB P10828 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
USP2 O75604 1/20 0.42
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 5/20 0.38
HSD17B10 Q99714 3/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP3A4 P08684 1/20 0.38
DAO P14920 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL433221 0.80 ALDH1A1 (0.56) ALDH1A1POLBTHRBNPC1RAB9A
SCHEMBL8548860 0.72 ALDH1A1 (0.44) ALDH1A1POLBTHRBCES2CES1
SCHEMBL8547550 0.72 TP53 (0.64) ALDH1A1THRBLMNATSHRHSD17B10
SCHEMBL28643500 0.72 THRB (0.51) ALDH1A1POLBTHRBNPC1RAB9A
SCHEMBL8550438 0.70 TP53 (0.49) ALDH1A1THRBLMNATSHRHSD17B10
SCHEMBL27284450 0.70 USP2 (0.55) ALDH1A1NPSR1POLBCES2CES1
SCHEMBL9015298 0.70 TSHR (0.58) ALDH1A1POLBTHRBUSP2NPC1
SCHEMBL10060550 0.69 MEN1 (0.48) ALDH1A1THRBNPC1RAB9AKMT2A
SCHEMBL6938391 0.69 USP2 (0.69) ALDH1A1NPSR1POLBCES2CES1
Acrylic Acid SCHEMBL31590930 0.69 THRB (0.51) ALDH1A1POLBTHRBNPC1RAB9A

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