SCHEMBL12430362

SCHEMBL12430362

C=C(C)C(=O)OC(C)COCC1CCCO1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL12744516 0.96 LMNA (0.38) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL21279925 0.82 LMNA (0.47) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL12430364 0.82 TSHR (0.47) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL21279993 0.82 TSHR (0.47) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL10329652 0.82 LMNA (0.40) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL10329651 0.80 LMNA (0.37) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL13387946 0.80 LMNA (0.48) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL12744526 0.80 TSHR (0.45) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL36133 0.77 ALDH1A1 (0.67) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL27848264 0.77 ALDH1A1 (0.67) LMNAPOLBALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3101072-B1 INKJET INK COMPOSITION FOR PRINTING ON BUILDING MATERIALS, INKJET INK SET FOR PRINTING ON BUILDING MATERIALS, INKJET RECORDING METHOD, AND DECORATIVE BUILDING MATERIALS FUJIFILM CORP (JP) 2019-08-28 EP disclosed
EP-2502967-B1 Ink composition FUJIFILM SPECIALITY INK SYSTEMS LTD (GB) 2019-08-21 EP disclosed
EP-2298841-B1 Ink composition, and inkjet recording method FUJIFILM CORP (JP) 2017-10-25 EP disclosed
US-8361563-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2013-01-29 US disclosed
US-8361563-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2013-01-29 US disclosed
EP-2230284-B1 Ink composition and inkjet recording method FUJIFILM CORP (JP) 2011-08-03 EP disclosed
US-20110071239-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2011-03-24 US disclosed
US-20110071239-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2011-03-24 US disclosed
EP-2298841-A1 Ink composition, and inkjet recording method FUJIFILM Corporation (JP) 2011-03-23 EP disclosed
US-20100239779-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
US-20100239779-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2230284-A1 Ink composition and inkjet recording method Fujifilm Corporation (JP) 2010-09-22 EP disclosed