SCHEMBL4631615

SCHEMBL4631615

C=C(C)C(=O)OC(C)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.37
TSHR P16473 2/20 0.35
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ALDH1A1 P00352 2/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 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
SCHEMBL29117598 0.75 TSHR (0.38) TSHRALDH1A1
SCHEMBL5680226 0.75 TSHR (0.38) TSHRALDH1A1
SCHEMBL27697876 0.75 EPHX1 (0.34) TSHR
SCHEMBL8401742 0.74 TSHR (0.43) TSHRALDH1A1
SCHEMBL23494218 0.73 TSHR (0.39) TSHRALDH1A1
SCHEMBL28731338 0.73 L3MBTL1 (0.35)
SCHEMBL11465609 0.72 TSHR (0.45) TSHRALDH1A1
SCHEMBL8407107 0.72 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL631827 0.71 TSHR (0.35) TSHRALDH1A1
SCHEMBL14983 0.70 TSHR (0.43) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1927889-A1 Lithographic printing plate precursor FUJIFILM Corporation (JP) 2008-06-04 EP disclosed
US-6558873-B1 Interlayer containing a compound capable of forming a complex with aluminum and a photopolymerizable photosensitive layer containing a photopolymerization initiator, an addition polymerizable compound capable of complexing with aluminum FUJI PHOTO FILM CO., LTD. (JP) 2003-05-06 US disclosed
EP-1091251-A2 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2001-04-11 EP disclosed