SCHEMBL2836901

SCHEMBL2836901

CCCCOCCN(CCCc1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(CCCN(CCOCCCC)C(=O)c3ccccc3)c2F)c1F)C(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 6/20 0.36
LPAR5 Q9H1C0 3/20 0.35
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
NAMPT P43490 1/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
DRD2 P14416 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC2 Q92769 1/20 0.31
LTB4R2 Q9NPC1 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
SCHEMBL2832108 0.99 LPAR1 (0.35) LPAR1LPAR5GAAHPGDNAMPT
SCHEMBL2830162 0.85 EGFR (0.40) LPAR1LPAR5GAAHPGDNAMPT
SCHEMBL2831183 0.85 PPARG (0.30)
SCHEMBL267593 0.83 LPAR1 (0.32) LPAR1LPAR5
SCHEMBL266308 0.82 LPAR1 (0.31) LPAR1LPAR5
SCHEMBL2833727 0.79 LPAR1 (0.33) LPAR1LPAR5
SCHEMBL2837728 0.79 AGER (0.40)
SCHEMBL9800169 0.78 RIPK1 (0.35)
SCHEMBL2833657 0.78 MC4R (0.34) LPAR1LPAR5LTB4R2
SCHEMBL482918 0.75 MLYCD (0.37) LPAR1LPAR5GAAHPGDHDAC1

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
US-7741005-B2 A planographic printing plate precursor comprising: an aluminum support; and a photosensitive layer including a polymerization initiator, a polymerizable compound and a binder polymer; an oxygen barrier layer; and a protective layer including a filler; capable of image formation FUJIFILM CORPORATION (JP) 2010-06-22 US disclosed
EP-1839853-B1 Planographic printing plate precursor and stack thereof FUJIFILM CORP (JP) 2009-07-08 EP disclosed
US-20070231740-A1 A planographic printing plate precursor comprising: an aluminum support; and a photosensitive layer including a polymerization initiator, a polymerizable compound and a binder polymer; an oxygen barrier layer; and a protective layer including a filler; capable of image formation FUJIFILM CORPORATION (JP) 2007-10-04 US disclosed
EP-1839853-A1 Planographic printing plate precursor and stack thereof FUJIFILM Corporation (JP) 2007-10-03 EP disclosed