SCHEMBL12758198

SCHEMBL12758198

CCCCCCCCN1CCSC1=CC=C(C(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ PDF Q9HBH1 1/20 0.33
▸ EEF2K O00418 1/20 0.33
▸ ADRB2 P07550 2/20 0.32
▸ ADRB1 P08588 2/20 0.32
▸ ADRB3 P13945 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32

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
SCHEMBL12758197 0.88 TSHR (0.35) KCNH2CHRM3ALDH1A1LMNA
SCHEMBL12758196 0.74 CHRM3 (0.35) KCNH2CHRM3HTTEPHX2ADRB2
SCHEMBL12758193 0.69 CHRM2 (0.39) CHRM3KDM4EALDH1A1LMNA
SCHEMBL10573772 0.67 TDP1 (0.39) GAAEPHX2ALDH1A1LMNATDP1
SCHEMBL10971522 0.67 TDP1 (0.39) GAAEPHX2ALDH1A1LMNATDP1
SCHEMBL12758195 0.66 CHRM2 (0.37) CHRM3ALDH1A1LMNA
SCHEMBL12758188 0.65 EPHX2 (0.40) HTTEPHX2ADRB2ADRB1ADRB3
SCHEMBL14615681 0.63 GAA (0.32) GAAPKMHTTKDM4EALDH1A1
SCHEMBL28899825 0.63 LMNA (0.40) HTTKDM4EALDH1A1LMNACA1
Heptane SCHEMBL18585529 0.62 SMN1; SMN2 (0.67) PKMHTTEPHX2KDM4EALDH1A1

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-20110057155-A1 ULTRAVIOLET ABSORBENT COMPOSITION FUJIFILM CORPORATION (JP) 2011-03-10 — — US disclosed
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