SCHEMBL6942499

SCHEMBL6942499

CCSC(F)(F)C1(c2ccc(F)cc2F)CO1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.34
CTSD P07339 3/20 0.34
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
BACE2 Q9Y5Z0 5/20 0.32
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7803860 0.83 BACE1 (0.36) BACE1CTSDBACE2
SCHEMBL6942401 0.83 BACE1 (0.34) BACE1BACE2ALDH1A1
SCHEMBL7804436 0.79 MAPK14 (0.35) BACE1HCAR3HCAR2BACE2ALDH1A1
SCHEMBL6941023 0.79 SLC6A3 (0.34)
SCHEMBL7894895 0.77 BACE1 (0.34) BACE1CTSDBACE2KCNH2
SCHEMBL6942412 0.77 SLC6A4 (0.37) ALDH1A1
SCHEMBL7797796 0.75 BACE1 (0.41) BACE1
SCHEMBL7799833 0.74 HCAR3 (0.36) BACE1CTSDHCAR3HCAR2BACE2
SCHEMBL7808783 0.72 BACE1 (0.39) BACE1CTSDHCAR3HCAR2BACE2
SCHEMBL8871864 0.72 MAPT (0.42) HCAR3HCAR2ALDH1A1

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-0927719-B1 Triazole derivative or salt thereof, preparation process thereof as well as pharmaceutical containing said compound SSP CO LTD (JP) 2003-07-23 EP disclosed
US-6204415-B1 2,2-DIFLUORO-2-ETHYLTHIOACETOPHENONE DERIVATIVES OF GIVEN FORMULA WHICH HAVE USE AS INTERMEDIATES TO ANTIMYCOTIC AGENTS SSP CO., LTD. (JP) 2001-03-20 US disclosed
US-6194592-B1 AS ANTIMYCOTIC AGENT SSP CO., LTD. (JP) 2001-02-27 US disclosed
US-6083968-A A FUNGICIDE; 1,1-DIFLUORO-1-ETHYL THIENYL OR ETHYL THIENYL OXIDES-2-(2,4-SUBSTITUTED PHENYL)-3-(1H-1,2,4-TRIA ZOL-1-YL)-2-OXY OR HYDROXY COMPOUND SSP CO., LTD. (JP) 2000-07-04 US disclosed
EP-0927719-A1 Triazole derivative or salt thereof, preparation process thereof as well as pharmaceutical containing said compound SSP Co., Ltd. (JP) 1999-07-07 EP disclosed