SCHEMBL7635156

SCHEMBL7635156

CCCCCC(=O)OCc1c(F)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.47
MMP1 P03956 2/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PAM P19021 2/20 0.44
ELANE P08246 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 1/20 0.42
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7630631 0.95 TDP1 (0.48) DGKAMMP1MMP2MMP9MMP12
SCHEMBL7631237 0.89 MMP1 (0.48) MMP1MMP2MMP9MMP12TDP1
SCHEMBL1709751 0.82 MMP1 (0.50) MMP1MMP2MMP9MMP12TDP1
SCHEMBL9803080 0.79 DGKA (0.56) DGKAPAMELANETSHRMAPT
SCHEMBL17938462 0.78 CYP4F2 (0.46) DGKATDP1PAMELANEL3MBTL1
SCHEMBL17938487 0.77 CYP4F2 (0.54) DGKATDP1PAMELANEL3MBTL1
SCHEMBL17938432 0.77 DGKA (0.46) DGKATDP1PAMELANETSHR
SCHEMBL17938466 0.77 DGKA (0.46) DGKATDP1PAMELANETSHR
SCHEMBL30786801 0.76 DGKA (0.53) DGKAPAMELANEEPHX2
SCHEMBL30786800 0.76 DGKA (0.53) DGKAPAMELANEEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6452056-B1 REDUCING FLUORINATED BENZONITRILE TO A BENZYLAMINE WHICH IS REPLACED WITH A HYDROXYL GROUP ASAHI GLASS COMPANY, LIMITED (JP) 2002-09-17 US disclosed
EP-1114809-A1 PROCESS FOR THE PREPARATION OF FLUOROBENZYL DERIVATIVES Asahi Glass Co., Ltd. (JP) 2001-07-11 EP disclosed