SCHEMBL7181789

SCHEMBL7181789

C=CC(=O)O[SiH2]c1cccc(CCCC)c1CCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.48
THRA P10827 2/20 0.48
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
PPARA Q07869 3/20 0.35
BID P55957 6/20 0.35
MCL1 Q07820 6/20 0.35
BCL2L1 Q07817 5/20 0.35
BAK1 Q16611 5/20 0.35
KAT8 Q9H7Z6 2/20 0.35
PPARG P37231 2/20 0.35
SAE1 Q9UBE0 2/20 0.35
EP300 Q09472 1/20 0.35
KAT2A Q92830 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT5 Q92993 1/20 0.35
MMP2 P08253 2/20 0.33
F7 P08709 2/20 0.33
F3 P13726 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL705554 0.84 PPARA (0.42) THRBTHRAPPARABIDMCL1
SCHEMBL7181771 0.82 PPARA (0.36) THRBTHRATSHRPPARABID
SCHEMBL27512654 0.74 LIPG (0.41) PPARABIDMCL1BCL2L1BAK1
SCHEMBL2882486 0.73 TSHR (0.55) THRBTHRAHPGDTSHRPPARA
SCHEMBL3482554 0.73 CYP3A4 (0.41) HPGDPPARABIDMCL1BCL2L1
SCHEMBL703233 0.72 LTB4R (0.36) PPARAPPARG
SCHEMBL703006 0.72 PTGS2 (0.35) PPARABIDMCL1BCL2L1BAK1
SCHEMBL707831 0.72 PTGS2 (0.35) PPARABIDMCL1BCL2L1BAK1
SCHEMBL704395 0.71 PPARA (0.42) THRBTHRAPPARABIDMCL1
SCHEMBL4595925 0.70 THRB (0.58) THRBTHRAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630079-B2 Bis(2- pyridinethiol-1-oxide) copper salt, does not exert any adverse influence on the storage stability or antifouling effect, and the effect of the salt does not change by the coating with an acrylic resin API CORPORATION (JP) 2003-10-07 US disclosed
EP-1080640-B1 COATED BIS(2-PYRIDINETHIOL-1-OXIDE)COPPER SALT API CORP (JP) 2003-09-10 EP disclosed
US-20030124085-A1 Coated bis (2-pyridinethiol-1-oxide) copper salt API CORPORATION (JP) 2003-07-03 US disclosed
US-6544440-B1 Antifouling active ingredient for a coating for the bottom of a ship, which is safe during handling; rosin coated; biocides API CORPORATION (JP) 2003-04-08 US disclosed
EP-1227111-A1 TRIPHENYLBORON-CONTAINING POLYMERS AND USE THEREOF Yoshitomi Fine Chemicals, Ltd. (JP) 2002-07-31 EP disclosed
EP-1080640-A1 COATED BIS(2-PYRIDINETHIOL 1-OXIDE) COPPER SALT Yoshitomi Fine Chemicals, Ltd. (JP) 2001-03-07 EP disclosed