SCHEMBL7580934

SCHEMBL7580934

CCCCC(=O)Nc1ccc(F)c([Ti])c1F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
EPHX2 P34913 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.45
EP300 Q09472 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.42
SOAT1 P35610 2/20 0.42

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
SCHEMBL7144364 0.91 MAPK1 (0.47) ALDH1A1POLBEPHX2KDM4EGAA
SCHEMBL27515371 0.82 EPHX2 (0.41) ALDH1A1POLBEPHX2KDM4EGAA
SCHEMBL28291532 0.82 EPHX2 (0.63) CETPALDH1A1POLBEPHX2KDM4E
SCHEMBL27515372 0.79 ALDH1A1 (0.50) ALDH1A1POLBEPHX2
SCHEMBL27527865 0.77 EPHX2 (0.39) ALDH1A1POLBEPHX2KDM4E
SCHEMBL27483566 0.77 RAB9A (0.65) ALDH1A1POLBKDM4ETSHRGAA
SCHEMBL27468288 0.76 SMN1; SMN2 (0.38) ALDH1A1POLBKDM4E
SCHEMBL7137151 0.76 HDAC1 (0.46) ALDH1A1POLBEPHX2KDM4EGAA
SCHEMBL29272418 0.75 EP300 (0.52) CETPEPHX2GAAEP300L3MBTL1
SCHEMBL31032253 0.75 EP300 (0.52) CETPEPHX2GAAEP300L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1238801-A2 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2002-09-11 EP disclosed