SCHEMBL7528601

SCHEMBL7528601

O=C(O)CCCS(=O)(=O)CCCC(=O)OCC(S)CS

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.37
ENPEP Q07075 3/20 0.34
GSTK1 Q9Y2Q3 2/20 0.34
TSHR P16473 2/20 0.33
FOLH1 Q04609 1/20 0.32
MAPT P10636 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL28492459 0.94 SLC22A6 (0.34) TSHRMAPTSLC22A6ALDH1A1LMNA
SCHEMBL2172101 0.80 LMNA (0.38) ENPEPGSTK1FOLH1ALDH1A1LMNA
SCHEMBL21835883 0.76 LMNA (0.36) TSHRMAPTSLC22A6ALDH1A1LMNA
SCHEMBL890742 0.74 TSHR (0.45) ENPEPGSTK1TSHRFOLH1LMNA
SCHEMBL331859 0.73 LMNA (0.33) TSHRMAPTSLC22A6ALDH1A1LMNA
SCHEMBL28597998 0.72 MAPT (0.35) TSHRMAPTALDH1A1LMNACYP3A4
SCHEMBL11330927 0.72 APEX1 (0.68) APEX1TSHRFOLH1SLC22A6ALDH1A1
SCHEMBL330833 0.72 TSHR (0.34) TSHRMAPTALDH1A1LMNATDP1
SCHEMBL11852011 0.71 MAPT (0.62) TSHRMAPTALDH1A1LMNACYP3A4
SCHEMBL27767672 0.71 LMNA (0.46) GSTK1TSHRFOLH1MAPTSLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669949-B1 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS COGNIS CORP (US) 2002-03-13 EP disclosed
EP-0669949-A4 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS. HENKEL CORP (US) 1996-07-10 EP disclosed
EP-0669949-A1 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS HENKEL CORPORATION (US) 1995-09-06 EP disclosed
US-5444127-A Urea, thiourea, guanidine derivatives, curing agents for epoxy resins, odorless, low temperature HENKEL CORPORATION (US) 1995-08-22 US disclosed
WO-1994009051-A1 TERTIARY AMINE DERIVATIVES AS COMPONENTS OF POLYMER FORMING SYSTEMS HENKEL CORPORATION (US) 1994-04-28 WO disclosed
EP-0014745-B1 CURING AGENT FOR POLYEPOXIDES, CURABLE EPOXY RESIN COMPOSITIONS, HARDENED PRODUCTS THEREFROM AND PROCESS FOR CURING A POLYEPOXIDE DIAMOND SHAMROCK CORPORATION (US) 1983-05-25 EP disclosed
EP-0075827-A2 Polyepoxide curing by polymercaptans plus catalytic co-curing agents DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1983-04-06 EP disclosed
EP-0014745-A1 Curing agent for polyepoxides, curable epoxy resin compositions, hardened products therefrom and process for curing a polyepoxide DIAMOND SHAMROCK CORPORATION (US) 1980-09-03 EP disclosed
US-4177173-A INFUSIBLE FILMS, CASTINGS OR ADHESIVES DIAMOND SHAMROCK CORPORATION (US) 1979-12-04 US disclosed