SCHEMBL6968044

SCHEMBL6968044

[CH2]OC(=O)c1ccc(F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.61
CES1 P23141 3/20 0.61
RAB9A P51151 1/20 0.48
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KLK7 P49862 1/20 0.41
SNCA P37840 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
SCHEMBL30954392 0.85 CES2 (0.68) CES2CES1RAB9AMAPTL3MBTL1
SCHEMBL8359445 0.83 CES2 (0.65) CES2CES1RAB9AMAPTL3MBTL1
SCHEMBL5651048 0.83 CES2 (0.65) CES2CES1RAB9AMAPTL3MBTL1
SCHEMBL24779498 0.80 CES2 (0.61) CES2CES1RAB9AMAPTL3MBTL1
SCHEMBL28018546 0.80 CES2 (0.61) CES2CES1RAB9AMAPTL3MBTL1
SCHEMBL20551726 0.80 CES2 (0.61) CES2CES1RAB9AMAPTL3MBTL1
SCHEMBL523258 0.80 CES2 (0.61) CES2CES1RAB9AMAPTL3MBTL1
SCHEMBL14012584 0.80 CES2 (0.61) CES2CES1RAB9AMAPTL3MBTL1
SCHEMBL2834785 0.79 CES2 (0.55) CES2CES1RAB9AMAPTL3MBTL1
SCHEMBL2831243 0.77 CES2 (0.57) CES2CES1RAB9AMAPTALDH1A1

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed