SCHEMBL8749111

SCHEMBL8749111

C=CN(C=O)CCC(=O)OCCCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
DNM1 Q05193 1/20 0.44
DGKA P23743 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 3/20 0.40
RECQL P46063 2/20 0.40
HTR2C P28335 1/20 0.40
NAAA Q02083 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
MGLL Q99685 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
THRB P10828 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL8560839 0.90 TSHR (0.38) TSHRHPGDDNM1DGKAALDH1A1
SCHEMBL8558720 0.89 TSHR (0.41) TSHRHPGDDNM1DGKAALDH1A1
SCHEMBL8559074 0.87 DGKA (0.34) TSHRDNM1DGKAALDH1A1MAPT
SCHEMBL8749132 0.83 DNM1 (0.49) DNM1ALDH1A1MAPTTHRB
SCHEMBL8590382 0.82 TSHR (0.41) TSHRDNM1MGLL
SCHEMBL9976373 0.81
SCHEMBL5709243 0.80
SCHEMBL8826136 0.79 TSHR (0.61) TSHRALDH1A1MAPK1ATMRECQL
SCHEMBL8560501 0.76 KMT2A (0.48) TSHRALDH1A1MAPTRECQLL3MBTL1
SCHEMBL12120249 0.76 DGKA (0.55) TSHRHPGDDNM1DGKAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5679738-A Aqueous polymeric emulsions incorporating polymerized units of michael adducts of N-vinylformamide AIR PRODUCTS AND CHEMICALS, INC. (US) 1997-10-21 US disclosed
US-5672731-A USEFUL AS MONOMERS IN FREE RADICAL POLYMERIZATION, PARTICULARLY AS COMPONENTS OF PHOTOCURABLE COATINGS AIR PRODUCTS AND CHEMICALS, INC. (US) 1997-09-30 US disclosed
EP-0683183-B1 Michael adducts of n-vinylformamide and acrylic and methacrylic esters AIR PROD & CHEM (US) 1997-09-03 EP disclosed
EP-0763522-A1 N-vinylformamide/alkyl acrylate michael adducts AIR PRODUCTS AND CHEMICALS, INC. (US) 1997-03-19 EP disclosed
EP-0683183-A1 Michael adducts of n-vinylformamide and acrylic and methacrylic esters AIR PRODUCTS AND CHEMICALS, INC. (US) 1995-11-22 EP disclosed
US-5463110-A A 3-(N-vinylformamido)propionate in photocurable coatings; reactive diluents; solvents; hydrophobic; glass transition temperatures; kinetics AIR PRODUCTS AND CHEMICALS, INC. (US) 1995-10-31 US disclosed