SCHEMBL7144652

SCHEMBL7144652

CCOC(=O)Cc1ccc(OCCO)cc1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.43
FFAR4 Q5NUL3 2/20 0.43
MAOB P27338 2/20 0.41
BRD4 O60885 1/20 0.40
PTGS2 P35354 2/20 0.40
KDM1A O60341 1/20 0.39
MAPK14 Q16539 1/20 0.39
HMOX1 P09601 1/20 0.39
TBXAS1 P24557 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDK2 Q15119 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38

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
SCHEMBL14223949 0.85 MCL1 (0.44) KDM4ETDP1L3MBTL1
SCHEMBL512391 0.80 POLB (0.52) FFAR1FFAR4L3MBTL1
SCHEMBL14223664 0.79 MCL1 (0.40) FFAR1
SCHEMBL10258195 0.78 NLRP3 (0.43) HSD17B10TDP1L3MBTL1
SCHEMBL706766 0.78 ALDH1A1 (0.51) MAOBPTGS2TDP1L3MBTL1
SCHEMBL1136311 0.77 L3MBTL1 (0.37) MAOBTDP1L3MBTL1
SCHEMBL15011980 0.77 EGFR (0.52) KDM4EGAAL3MBTL1
SCHEMBL12685668 0.76 PKM (0.40) PTGS2KDM4ETDP1L3MBTL1
SCHEMBL24950358 0.76 MTNR1A (0.52) MAOBGAAL3MBTL1
SCHEMBL4518509 0.76 L3MBTL1 (0.43) TDP1L3MBTL1

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
EP-1289939-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP claimed
WO-2001090051-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO claimed
EP-1289939-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP disclosed
WO-2001090051-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO disclosed