SCHEMBL6945689

SCHEMBL6945689

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.53
CES1 P23141 3/20 0.53
RIPK1 Q13546 3/20 0.42
ACKR3 P25106 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 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
SCHEMBL7803050 0.81 CES2 (0.44) CES2CES1RIPK1ACKR3ALDH1A1
SCHEMBL7804366 0.80 CES2 (0.59) CES2CES1RIPK1ACKR3L3MBTL1
SCHEMBL6945684 0.80 CES2 (0.50) CES2CES1RIPK1ACKR3L3MBTL1
SCHEMBL1748151 0.80 CES1 (0.63) CES2CES1L3MBTL1HTT
SCHEMBL6645293 0.79 CES2 (0.49) CES2CES1RIPK1ACKR3L3MBTL1
SCHEMBL13151879 0.78 CES2 (0.61) CES2CES1RIPK1ACKR3L3MBTL1
SCHEMBL7804478 0.77 CES2 (0.44) CES2CES1ACKR3L3MBTL1ALDH1A1
SCHEMBL9238566 0.77 CES2 (0.50) CES2CES1RIPK1ACKR3L3MBTL1
SCHEMBL2097707 0.77 CES2 (0.59) CES2CES1RIPK1ACKR3L3MBTL1
SCHEMBL10832422 0.77 CES2 (0.59) CES2CES1L3MBTL1ALDH1A1PKM

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