SCHEMBL21409643

SCHEMBL21409643

CCN(CC)CCOP(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.48
LPAR2 Q9HBW0 6/20 0.48
LPAR1 Q92633 4/20 0.48
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
MVD P53602 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CYP2D6 P10635 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
MAOA P21397 1/20 0.36
HTR3A P46098 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL13531691 0.90 LPAR3 (0.44) LPAR3LPAR2LPAR1MEN1KMT2A
SCHEMBL13400451 0.86 LPAR3 (0.55) LPAR3LPAR2LPAR1CYP3A4
Methacrylic Acid SCHEMBL28981875 0.86 LMNA (0.38) LPAR3LPAR2LPAR1MEN1POLB
SCHEMBL946310 0.85 LPAR3 (0.44) LPAR3LPAR2LPAR1MVDBLM
SCHEMBL3427762 0.85 LPAR3 (0.44) LPAR3LPAR2LPAR1MVD
SCHEMBL3427759 0.85 LPAR3 (0.44) LPAR3LPAR2LPAR1MVDCYP2D6
SCHEMBL2349790 0.83 LPAR3 (0.43) LPAR3LPAR2LPAR1MVD
SCHEMBL9879477 0.83 LPAR3 (0.43) LPAR3LPAR2LPAR1MVDBLM
SCHEMBL11237799 0.83 MEN1 (0.39) LPAR3LPAR2LPAR1MEN1POLB
SCHEMBL13531692 0.82 LPAR3 (0.43) LPAR3LPAR2LPAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106367212-B Liquid softener composition 狮王株式会社 2021-04-20 CN disclosed
WO-2019188499-A1 METHOD FOR PRODUCING α-OLEFIN/(METH)ACRYLIC ACID ESTER COPOLYMER 日本ポリエチレン株式会社 2019-10-03 WO disclosed
CN-103917569-A Polyurethane based membranes and/or separators for electrochemical cells LUBRIZOL ADVANCED MAT INC 2014-07-09 CN disclosed
CN-103907236-A Polyurethane based electrolyte systems for electrochemical cells LUBRIZOL ADVANCED MAT INC 2014-07-02 CN disclosed