SCHEMBL10225824

SCHEMBL10225824

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
PRKDC P78527 1/20 0.38
ATR Q13535 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
ALDH1A1 P00352 1/20 0.35
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
KCNH2 Q12809 2/20 0.33
POLB P06746 1/20 0.31
GBA1 P04062 1/20 0.31
NPC1 O15118 2/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL28121988 0.78 PRKDC (0.46) PRKDCATRALDH1A1SMN1; SMN2
SCHEMBL12891205 0.77 TDP1 (0.55) TDP1TAS1R3TAS1R1ALDH1A1HTR2A
SCHEMBL7589008 0.77 TDP1 (0.55) TDP1TAS1R3TAS1R1ALDH1A1HTR2A
SCHEMBL7207685 0.75 MMP13 (0.51) GAAMMP2MMP9
SCHEMBL13101213 0.74 TDP1 (0.52) TDP1TAS1R3TAS1R1PSEN1PSEN2
SCHEMBL13112963 0.73 TDP1 (0.52) TDP1TAS1R3TAS1R1ALDH1A1HTR2A
SCHEMBL24791574 0.72 TDP1 (0.53) TDP1TAS1R3TAS1R1PSEN1PSEN2
SCHEMBL29175748 0.71 TDP1 (0.62) TDP1
SCHEMBL3107979 0.70 CA2 (0.58) TDP1ALDH1A1KCNH2POLBGAA
SCHEMBL5203081 0.70 ALDH1A1 (0.42) TDP1TAS1R3TAS1R1ALDH1A1NPC1

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
EP-0949540-B1 Method for producing lithographic printing plate suitable for laser scan exposure, and photopolymerizable composition FUJIFILM CORP (JP) 2012-05-02 EP disclosed