SCHEMBL8317869

SCHEMBL8317869

CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCS(=O)(=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.33
EIF4H Q15056 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
MMP2 P08253 2/20 0.32
MMP13 P45452 2/20 0.32
MMP1 P03956 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CNR2 P34972 1/20 0.31
KMT2A Q03164 2/20 0.30
ABCB1 P08183 1/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 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
SCHEMBL8319641 0.92 HTT (0.35) LMNAHTTMMP2MMP13MMP1
SCHEMBL2903862 0.90 PABPC1 (0.36) PABPC1EIF4HCTDSP1MMP13MMP1
SCHEMBL8322163 0.88 PABPC1 (0.34) PABPC1EIF4HCTDSP1LMNAHTT
SCHEMBL8320141 0.86 PPARA (0.33) LMNAHTTMMP2MMP13ALDH1A1
SCHEMBL8316981 0.86 PPARA (0.33) LMNAHTTMMP2MMP13ALDH1A1
SCHEMBL6652819 0.84 CA12 (0.38) PABPC1EIF4HCTDSP1ALDH1A1
SCHEMBL2900930 0.83 PPARA (0.37) LMNAHTTMMP2MMP13ALDH1A1
SCHEMBL8651814 0.83 CETP (0.33) MMP2MMP13MMP1ALDH1A1CNR2
SCHEMBL8646729 0.83 CETP (0.33) MMP2MMP13MMP1ALDH1A1CNR2
Trifluoromethanesulfonic Acid SCHEMBL64048 0.82 GPR3 (0.37) CNR2

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-5880169-A HAVING HIGH RESOLUTION FOR FINE PATTERNING SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-03-09 US disclosed