SCHEMBL7609999

SCHEMBL7609999

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.55
CES1 P23141 2/20 0.55
SRD5A2 P31213 2/20 0.48
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
GSK3B P49841 2/20 0.47
PTPN1 P18031 2/20 0.47
TRPV1 Q8NER1 2/20 0.45
BACE1 P56817 1/20 0.44
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
EPHX2 P34913 1/20 0.41
MMP1 P03956 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL8538571 0.83 CES2 (0.53) CES2CES1SRD5A2NR4A1NR4A2
SCHEMBL7604796 0.82 MAPT (0.47) CES2CES1PTPN1
SCHEMBL6942780 0.81 CES2 (0.52) CES2CES1SRD5A2NR4A1NR4A2
SCHEMBL2322081 0.80 CES1 (0.59) CES2CES1GSK3BMEN1TSHR
SCHEMBL7798781 0.78 CES2 (0.61) CES2CES1SRD5A2NR4A1NR4A2
SCHEMBL8235165 0.78 CES2 (0.61) CES2CES1SRD5A2NR4A1NR4A2
SCHEMBL23172558 0.77 CES2 (0.67) CES2CES1SRD5A2NR4A1NR4A2
SCHEMBL1078685 0.77 CES1 (0.67) CES2CES1SRD5A2NR4A1NR4A2
SCHEMBL21387720 0.76 CES2 (0.59) CES2CES1SRD5A2NR4A1NR4A2
SCHEMBL7806283 0.76 CES2 (0.59) CES2CES1SRD5A2NR4A1NR4A2

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 8 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
EP-0780380-B1 Triazole derivatives with antimycotic action and intermediates SS PHARMACEUTICAL CO (JP) 2001-06-13 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
EP-1026154-A2 Preparation process of difluoroacetophenone derivatives SSP Co., Ltd. (JP) 2000-08-09 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