SCHEMBL3387018

SCHEMBL3387018

C=Cc1ccc(S(=O)(=O)OC2(C3CCC(O)CC3)CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
HSD11B1 P28845 2/20 0.35
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL3390043 0.84 KMT2A (0.41) HSD11B1
SCHEMBL5084591 0.76 TDP1 (0.46) TDP1HCRTR1HCRTR2
SCHEMBL3387060 0.73 TDP1 (0.46) TDP1HCRTR1HCRTR2PSEN1PSEN2
SCHEMBL3387015 0.70 TDP1 (0.34) TDP1HDAC3HDAC1HDAC2
SCHEMBL4824267 0.69 SMN1; SMN2 (0.44)
SCHEMBL25916447 0.68 TDP1 (0.39) TDP1HSD11B1PSEN1PSEN2APH1B
SCHEMBL5691471 0.67 TDP1 (0.44) TDP1HCRTR1HCRTR2HDAC3HDAC1
SCHEMBL14131682 0.67 TDP1 (0.39) TDP1HCRTR1HCRTR2HDAC3HDAC1
SCHEMBL28886166 0.65 TDP1 (0.42) TDP1HCRTR1HCRTR2HDAC3HDAC1
SCHEMBL4564767 0.63 TDP1 (0.50) TDP1HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100078598-A1 CONDUCTIVE POLYMER COMPOSITION FOR RADIOGRAPHIC IMAGING ELPANI CO., LTD. (KR) 2010-04-01 US claimed
US-20100078598-A1 CONDUCTIVE POLYMER COMPOSITION FOR RADIOGRAPHIC IMAGING ELPANI CO., LTD. (KR) 2010-04-01 US disclosed