SCHEMBL8424339

SCHEMBL8424339

C=C(C)C(=O)OCCNC(=O)NCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.39
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACHE P22303 4/20 0.33
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
EPHX2 P34913 1/20 0.31
EPHX1 P07099 2/20 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
SCHEMBL2195083 0.93 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12746657 0.90 TSHR (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL21668608 0.90 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11837742 0.89 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10093567 0.87 THRB (0.47) THRBTSHRALDH1A1CHRNB2CHRNB4
SCHEMBL14582190 0.87 TSHR (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13590585 0.87 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16387921 0.87 TSHR (0.47) THRBTSHRPOLBAPEX1HTT
SCHEMBL13589407 0.86 TSHR (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12511119 0.86 TSHR (0.53) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468745-B1 Flexographic printing plate process DUPONT OPERATIONS WORLDWIDE IN (US) 1999-10-13 EP disclosed
EP-0468666-B1 Backside ionizing irradiation in a flexographic printing plate process MINNESOTA MINING & MFG (US) 1998-05-06 EP disclosed
US-5215859-A Curing polyurethane elastomers; antiswelling in water MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-06-01 US disclosed
US-5187044-A Aziridine compound containing primer layer, radiation curable polyurethane elastomer MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-02-16 US disclosed
US-5175072-A Heating a layer after irradiation, contacting with absorber and removal of layer MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-12-29 US disclosed
EP-0468745-A2 Flexographic printing plate process MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-01-29 EP disclosed
EP-0468667-A2 Flexographic printing plate compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-01-29 EP disclosed
US-5015556-A Radiation hardenable composition, heating, absorption of uncured area by contact with absorbent MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-05-14 US disclosed