SCHEMBL5405485

SCHEMBL5405485

Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
GAA P10253 1/20 0.35
HPGD P15428 2/20 0.33
NFE2L2 Q16236 2/20 0.32
CA2 P00918 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
KEAP1 Q14145 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
Perflubutane SCHEMBL7058920 0.85 TSHR (0.38) LMNATSHRCA2CES1NR1H2
SCHEMBL3132979 0.85 CA1 (0.35) ALOX12GAAHPGDCA2TDP1
SCHEMBL4961195 0.85 GAA (0.41) GAAHPGDNFE2L2CA2CES2
SCHEMBL4964156 0.85 GAA (0.41) GAAHPGDNFE2L2CA2CES2
SCHEMBL546898 0.85 CA1 (0.35) ALOX12GAAHPGDCA2TDP1
SCHEMBL3132822 0.85 CA1 (0.35) ALOX12GAAHPGDCA2TDP1
SCHEMBL1089841 0.85 CA1 (0.35) ALOX12GAAHPGDCA2TDP1
SCHEMBL425893 0.83 ACHE (0.53) ACHELMNATSHRALOX12HPGD
SCHEMBL47574 0.83 ACHE (0.53) ACHELMNATSHRALOX12HPGD
SCHEMBL3129912 0.83 GPR3 (0.35) ACHEALOX12GAAHPGDCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312014-B2 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2007-12-25 US disclosed