SCHEMBL17613680

SCHEMBL17613680

CCC(=O)SCCOCCS

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.31
RAB9A P51151 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL19998244 0.83 FOLH1 (0.30)
SCHEMBL12023038 0.82 TSHR (0.46) TDP1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL25741042 0.82
SCHEMBL17599662 0.82 TDP1 (0.32) TDP1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10044377 0.82 ALDH1A1 (0.43) TDP1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL5596714 0.80 TDP1 (0.31) TDP1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13639135 0.80 ALDH1A1 (0.35) TDP1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17613644 0.79 TDP1 (0.33) TDP1
SCHEMBL5596366 0.78 TDP1 (0.32) TDP1
SCHEMBL17613625 0.76

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-2346883-B1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE PETERSEN SCOTT G (US) 2016-03-23 EP disclosed