SCHEMBL3387015

SCHEMBL3387015

C=Cc1ccc(S(=O)(=O)O)c(C2(C3CCC(O)CC3)CCCCC2)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 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
SCHEMBL3390037 0.81 SLC6A2 (0.34)
SCHEMBL5084588 0.78 TDP1 (0.40) TDP1HDAC3HDAC1HDAC2
SCHEMBL3387062 0.73 TDP1 (0.40) TDP1HDAC3HDAC1HDAC2
SCHEMBL3387018 0.70 TDP1 (0.38) TDP1HDAC3HDAC1HDAC2
SCHEMBL3714741 0.66 TDP1 (0.55) TDP1HDAC3HDAC1HDAC2
SCHEMBL17171613 0.64 TDP1 (0.52) TDP1
SCHEMBL5084572 0.64 HDAC3 (0.33) HDAC3HDAC1HDAC2
SCHEMBL3387026 0.63 ESR2 (0.31)
Hydrochloric Acid SCHEMBL29128987 0.62 TDP1 (0.50) TDP1
SCHEMBL11128225 0.62 TDP1 (0.50) TDP1

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