SCHEMBL5199658

SCHEMBL5199658

CCCCCC(C)C(C)(C)C(=O)Nc1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(NC(=O)C(C)(C)C(C)CCCCC)c2F)c1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
POLB P06746 1/20 0.32
PDK1 Q15118 2/20 0.31
PDK2 Q15119 2/20 0.31
PDK3 Q15120 2/20 0.31
PDK4 Q16654 2/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5200874 0.97 EPHX2 (0.34) EPHX2S1PR4S1PR1S1PR3S1PR5
SCHEMBL5200167 0.91 EPHX2 (0.35) EPHX2S1PR4S1PR1S1PR3S1PR5
SCHEMBL5199814 0.88 EPHX2 (0.33) EPHX2S1PR4S1PR1S1PR3S1PR5
SCHEMBL483140 0.84 EPHX2 (0.36) EPHX2S1PR4S1PR1S1PR3S1PR5
SCHEMBL482923 0.82 MEN1 (0.40) EPHX2S1PR4S1PR1S1PR3S1PR5
SCHEMBL483118 0.81 KDM4E (0.35) EPHX2POLBPDK1PDK2PDK3
SCHEMBL482917 0.80 EP300 (0.41) EPHX2ALDH1A1GAAL3MBTL1
SCHEMBL269422 0.79 PDK1 (0.34) EPHX2PDK1PDK2PDK3PDK4
SCHEMBL482968 0.79 PDK1 (0.31) PDK1PDK2PDK3PDK4
SCHEMBL482596 0.78 EPHX2 (0.55) EPHX2POLBALDH1A1HTTL3MBTL1

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-1728838-B1 Ink composition for ink jet-recording and method for preparing lithographic printing plate using the same FUJIFILM CORP (JP) 2007-08-15 EP disclosed
EP-1728838-A1 Ink composition for ink jet-recording and method for preparing lithographic printing plate using the same Fuji Photo Film Co., Ltd. (JP) 2006-12-06 EP disclosed
EP-1341040-A1 Photopolymerizable composition FUJI PHOTO FILM CO., LTD. (JP) 2003-09-03 EP disclosed