SCHEMBL7607142

SCHEMBL7607142

O=C(c1ccc(F)cc1F)C(F)(F)SC1CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.47
CES1 P23141 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
ACKR3 P25106 2/20 0.36
HPGD P15428 1/20 0.36
PDK2 Q15119 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
KCNH2 Q12809 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
DPP4 P27487 1/20 0.34

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
SCHEMBL7606342 0.78 CES2 (0.53) CES2CES1L3MBTL1ACKR3KDM4E
SCHEMBL7605938 0.78 CES2 (0.41) CES2CES1HTR2AHTR2CRAB9A
SCHEMBL7893255 0.76 CES2 (0.52) CES2CES1L3MBTL1DRD2DRD3
SCHEMBL6945684 0.75 CES2 (0.50) CES2CES1L3MBTL1ACKR3RAB9A
SCHEMBL1748151 0.75 CES1 (0.63) CES2CES1L3MBTL1KDM4ERAB9A
SCHEMBL10832422 0.72 CES2 (0.59) CES2CES1L3MBTL1HPGDGAA
SCHEMBL7804366 0.72 CES2 (0.59) CES2CES1L3MBTL1ACKR3GAA
SCHEMBL7886376 0.71 CES2 (0.49) CES2CES1L3MBTL1DRD2DRD3
SCHEMBL13151879 0.70 CES2 (0.61) CES2CES1L3MBTL1ACKR3GAA
SCHEMBL9137806 0.69 CES2 (0.55) CES2CES1L3MBTL1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1026154-B1 Preparation process of difluoroacetophenone derivatives SSP CO LTD (JP) 2002-09-04 EP disclosed
US-6229049-B1 COUPLING AN ALKYLTHIODIFLUOROACETIC ACID ESTER DERIVATIVE TO A HALOBENZENE DERIVATIVE AS AN INTERMEDIATE FOR 'TRIAZOLES' FUNGICIDES; TREATING MYCOTIC INFECTIOUS DISEASES SSP CO., LTD. (JP) 2001-05-08 US disclosed
US-6184396-B1 2-CYCLOPROPYLTHIADIFLUOROMETHYL-2-PHENYLOXIRANE INTERMEDIATES FOR 1-(CYCLOPROPYLTHIA)-2-PHENYL-1,1-(CYCLOPROPYLTHIA)-2-PHENYL-1,1-DIFLUORO-3-(1H-1,2,4-TRIAZOL-1-YL)-2-PROPANOL AND DERIVATIVES; FUNGICIDES; CANDIDA AND ASPERGILLUS SSP CO., LTD. (JP) 2001-02-06 US disclosed
US-6172266-B1 FUNGICIDES SSP CO., LTD. (JP) 2001-01-09 US disclosed
EP-1026154-A2 Preparation process of difluoroacetophenone derivatives SSP Co., Ltd. (JP) 2000-08-09 EP disclosed
US-6040325-A FUNGICIDES FOR THE PREVENTION AND TREATMENT OF MAMMALIAN MYCOTIC INFECTIONS SSP CO., LTD. (JP) 2000-03-21 US disclosed
EP-0933368-A1 Triazole derivative or salt thereof, preparation process thereof and pharmaceutical containing said compound as an effective ingredient (antimycotic) SSP Co., Ltd. (JP) 1999-08-04 EP disclosed