SCHEMBL7804388

SCHEMBL7804388

CC(F)C(=O)c1ccc(F)cc1F

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.59
CES1 P23141 4/20 0.59
ALDH1A1 P00352 1/20 0.43
MAPK14 Q16539 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SNCA P37840 1/20 0.40
ACKR3 P25106 1/20 0.39

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
SCHEMBL8292394 0.86 CES2 (0.61) CES2CES1ALDH1A1MAPK14L3MBTL1
SCHEMBL9340459 0.86 CES2 (0.61) CES2CES1ALDH1A1MAPK14L3MBTL1
SCHEMBL2562024 0.85 CES2 (0.64) CES2CES1ALDH1A1MAPK14L3MBTL1
SCHEMBL940243 0.85 CES2 (0.64) CES2CES1ALDH1A1MAPK14L3MBTL1
SCHEMBL30485086 0.85 CES2 (0.64) CES2CES1ALDH1A1MAPK14L3MBTL1
SCHEMBL9046982 0.85 CES2 (0.64) CES2CES1ALDH1A1MAPK14L3MBTL1
SCHEMBL7806345 0.84 CES2 (0.63) CES2CES1ALDH1A1MAPK14L3MBTL1
SCHEMBL6518724 0.83 CES2 (0.57) CES2CES1ALDH1A1MAPK14L3MBTL1
SCHEMBL9522760 0.83 CES2 (0.57) CES2CES1ALDH1A1MAPK14L3MBTL1
SCHEMBL6939794 0.83 CES2 (0.57) CES2CES1ALDH1A1MAPK14L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780380-B1 Triazole derivatives with antimycotic action and intermediates SS PHARMACEUTICAL CO (JP) 2001-06-13 EP disclosed
US-6002028-A FUNGICIDES SS PHARMACEUTICAL CO., LTD. (JP) 1999-12-14 US disclosed
US-5986144-A Triazole derivative, preparation process thereof and pharmaceutical comprising the same as an effective ingredient SS PHARMACEUTICAL CO., LTD. (JP) 1999-11-16 US disclosed
US-5945438-A ANTIMYCOTIC AGENT SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-31 US disclosed
EP-0780380-A1 Triazole derivatives with antimycotic action and intermediates SS PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed