SCHEMBL10410092

SCHEMBL10410092

O=C(OCCCCCCOC(=O)c1cccc(S(=O)(=O)Cl)c1)c1cccc(S(=O)(=O)Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
HDAC6 Q9UBN7 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA4 P22748 2/20 0.43
CA9 Q16790 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
STS P08842 3/20 0.41

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
SCHEMBL7457332 0.93 LMNA (0.53) TDP1LMNAMAPTSTS
SCHEMBL7455946 0.93 LMNA (0.53) TDP1LMNAMAPTSTS
SCHEMBL24330535 0.90 TDP1 (0.53) TDP1LMNAHPGDSTS
SCHEMBL397968 0.83 CYP4F2 (0.51) CA1CA2CA12CA9LMNA
SCHEMBL14659554 0.83 TDP1 (0.46) TDP1CA1CA2LMNA
SCHEMBL10674511 0.81 TDP1 (0.45) TDP1CA1CA2LMNAMAPT
SCHEMBL15830892 0.80 LMNA (0.54) TDP1LMNAMAPTSTS
SCHEMBL460642 0.79 CYP3A4 (0.47) TDP1LMNAMAPTHPGD
SCHEMBL782048 0.79 TDP1 (0.61) TDP1LMNAMAPTHPGD
SCHEMBL5790462 0.79 TDP1 (0.51) TDP1CA1CA2CA12CA4

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-4957988-A Process and polymers for the production of images CIBA-GEIGY CORPORATION (US) 1990-09-18 US disclosed