SCHEMBL3873869

SCHEMBL3873869

O=S(=O)(O)C(F)(F)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 1/20 0.42
IDO1 P14902 4/20 0.41
SRD5A2 P31213 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
PIK3CA P42336 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL3872272 0.80 CES1 (0.44) TAAR1CES1KDM4EALDH1A1CA12
SCHEMBL496716 0.76 KIF11 (0.59) KIF11KMT2ATAAR1IDO1SRD5A2
Trifluoromethanesulfonic Acid SCHEMBL28915814 0.76 MAOB (0.51) KIF11KMT2ATAAR1IDO1BCHE
Hydrochloric Acid SCHEMBL28126261 0.74 KIF11 (0.58) KIF11KMT2ATAAR1IDO1SRD5A2
SCHEMBL3869667 0.74 HTT (0.39) CES2CES1ALDH1A1
SCHEMBL3869513 0.73 PTPN1 (0.53) KIF11KMT2ASRD5A2CES2CES1
SCHEMBL19215824 0.72 TAAR1 (0.54) KIF11KMT2ATAAR1IDO1SRD5A2
SCHEMBL384179 0.72 PTPN1 (0.44)
SCHEMBL4305804 0.71 PIK3CA (0.56) TAAR1IDO1SRD5A2CES2CES1
SCHEMBL29009993 0.71 SRD5A2 (0.50) KMT2ATAAR1IDO1SRD5A2CES2

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
US-7638261-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-12-29 US disclosed
US-20090148790-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2009-06-11 US disclosed
US-7521169-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2009-04-21 US disclosed
US-20060234153-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-10-19 US disclosed
EP-1557718-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2005-07-27 EP disclosed