SCHEMBL7605938

SCHEMBL7605938

O=C(c1ccc(F)cc1)C(F)(F)SC1CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HSD11B1 P28845 6/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PLOD2 O00469 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
TRPA1 O75762 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL7896286 0.85 CES2 (0.48) CES2CES1HSD11B1
SCHEMBL7896288 0.84 CES1 (0.52) CES2CES1HSD11B1RAB9A
SCHEMBL7604796 0.74 MAPT (0.47) CES2CES1NPC1RAB9APLOD2
SCHEMBL7897615 0.73 CES2 (0.45) CES2CES1HSD11B1NPC1RAB9A
SCHEMBL6945606 0.71 HTR7 (0.44) CES2CES1NPC1RAB9APLOD2
SCHEMBL16823 0.71 CES1 (0.62) CES2CES1NPC1RAB9APLOD2
SCHEMBL29035937 0.69 CES1 (0.54) CES2CES1NPC1RAB9APLOD2
SCHEMBL28356730 0.67 CES1 (0.52) CES2CES1NPC1RAB9APLOD2
SCHEMBL1272402 0.67 CES1 (0.52) CES2CES1NPC1RAB9APLOD2
SCHEMBL3441242 0.67 CES1 (0.52) CES2CES1NPC1RAB9APLOD2

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