SCHEMBL13484338

SCHEMBL13484338

C=C(C)C(=O)OCCSCc1ccc(CSCCP(=O)(O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
HTT P42858 3/20 0.36
ALPG P10696 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 5/20 0.35
CYP2C19 P33261 1/20 0.32
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
PKM P14618 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL4447117 0.89 THRB (0.43) LMNAHTTPOLBAPEX1TDP1
SCHEMBL20671287 0.86 THRB (0.43) HTTPOLBAPEX1TDP1THRB
SCHEMBL3138267 0.85 THRB (0.40) LMNAHTTPOLBAPEX1TDP1
SCHEMBL8982153 0.83 THRB (0.39) LMNAHTTPOLBAPEX1TDP1
SCHEMBL7519970 0.82 CYP2C19 (0.50) LMNAHTTALPGPOLBAPEX1
SCHEMBL13261677 0.80 THRB (0.40) LMNAHTTPOLBAPEX1TDP1
SCHEMBL13696520 0.78 CYP2C19 (0.43) LMNAHTTPOLBAPEX1TDP1
SCHEMBL4457186 0.78 CYP1A2 (0.40) LMNAHTTPOLBAPEX1TDP1
SCHEMBL12960322 0.77 HRH3 (0.42) HTTPOLBAPEX1TDP1THRB
SCHEMBL13261678 0.76 TDP1 (0.36) LMNAHTTPOLBAPEX1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185633-B1 METHOD OF PREPARING A NANOPARTICLE DISPERSION OF A MODIFIED METAL OXIDE CABOT CORP (US) 2014-03-12 EP disclosed
US-7662879-B2 Compositions comprising modified metal oxides CABOT CORPORATION (US) 2010-02-16 US disclosed
US-20070208122-A1 Compositions comprising modified metal oxides CABOT CORPORATION 2007-09-06 US disclosed