SCHEMBL4459033

SCHEMBL4459033

O=C(O)CCCSSSCCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
LMNA P02545 5/20 0.53
SLC22A6 Q4U2R8 2/20 0.53
NFKB1 P19838 2/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CAMK2A Q9UQM7 1/20 0.46
FOLH1 Q04609 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GABRR3 A8MPY1 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
HDAC3 O15379 1/20 0.43
GABBR2 O75899 1/20 0.43
CYP1A2 P05177 1/20 0.43
THRB P10828 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43

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
SCHEMBL2777297 0.94 TSHR (0.55) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL15751057 0.92 LMNA (0.58) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL15750966 0.90 TSHR (0.60) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL7682936 0.90 TSHR (0.60) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL3684650 0.90 TSHR (0.60) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL7689391 0.90 TSHR (0.60) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL225702 0.88 TSHR (0.71) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL94565 0.88 TSHR (0.71) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL15750869 0.86 LMNA (0.58) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL23046863 0.86 TSHR (0.77) TSHRLMNASLC22A6NFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164650-A Preparation and application of intelligent response type trisulfide bridged doxorubicin monomer prodrug 沈阳药科大学 2023-12-05 CN claimed
CN-117700378-A Four-sulfur bond bridged dimer prodrug, self-assembled nanoparticle thereof and application thereof 沈阳药科大学 2024-03-15 CN disclosed
CN-117164650-A Preparation and application of intelligent response type trisulfide bridged doxorubicin monomer prodrug 沈阳药科大学 2023-12-05 CN disclosed
EP-2738208-B1 COUPLING AGENT FOR RUBBER/CARBON BLACK, AND RUBBER COMPOSITION CONTAINING SAME FOR USE IN TIRES SHIKOKU CHEM (JP) 2017-07-19 EP disclosed
US-9200145-B2 Coupling agent for rubber/carbon black, and rubber composition containing same for use in tires SHIKOKU CHEMICALS CORPORATION (JP) 2015-12-01 US disclosed
US-20140155541-A1 COUPLING AGENT FOR RUBBER/CARBON BLACK, AND RUBBER COMPOSITION CONTAINING SAME FOR USE IN TIRES SHIKOKU CHEMICALS CORPORATION (JP) 2014-06-05 US disclosed
EP-2738208-A1 COUPLING AGENT FOR RUBBER/CARBON BLACK, AND RUBBER COMPOSITION CONTAINING SAME FOR USE IN TIRES Shikoku Chemicals Corporation (JP) 2014-06-04 EP disclosed
US-20090012233-A1 Epoxy Resin Molding Material for Sealing and Electronic Component Device HITACHI CHEMICAL CO., LTD. (JP) 2009-01-08 US disclosed
EP-0552376-B1 PRODUCTION OF POLYMER HYDROXYLATED AT BOTH TERMINALS, COMPOSITION CONTAINING SAID POLYMER AND ITS USE, AND POLYMER DERIVED FROM SAID COMPOSITION AND ITS USE NIPPON CATALYTIC CHEM IND (JP) 1999-01-13 EP disclosed
EP-0552376-A1 PRODUCTION OF POLYMER HYDROXYLATED AT BOTH TERMINALS, COMPOSITION CONTAINING SAID POLYMER AND ITS USE, AND POLYMER DERIVED FROM SAID COMPOSITION AND ITS USE NIPPON SHOKUBAI CO., LTD. (JP) 1993-07-28 EP disclosed