SCHEMBL8371237

SCHEMBL8371237

O=C(OCCO)C(S)C(S)C(=O)OCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 3/20 0.36
ACHE P22303 1/20 0.34
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ABCB11 O95342 1/20 0.32
F2 P00734 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
PTPN11 Q06124 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL57319 0.83
SCHEMBL10796094 0.81 TSHR (0.41) TSHRALDH1A1ACHEMAPK1MEN1
SCHEMBL27469264 0.81
SCHEMBL6304922 0.79
SCHEMBL31091408 0.79 TSHR (0.39) TSHRALDH1A1ACHEMAPK1TDP1
SCHEMBL6049983 0.78 HPGD (0.32) ALDH1A1MEN1HPGDKMT2AHSD17B10
SCHEMBL10329474 0.76 HCAR2 (0.41) TSHRALDH1A1ACHEHPGDHSD17B10
SCHEMBL373842 0.74 TSHR (0.44) TSHRALDH1A1ACHEMAPK1MEN1
SCHEMBL1006853 0.74 TSHR (0.39) TSHRALDH1A1ACHEMAPK1
SCHEMBL2792421 0.74 FOLH1 (0.37) TSHRTDP1

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-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
US-5391665-A Catalyzed polymerization in the presence of a dihydroxypolysulfide compound NIPPON SHOKUBAI CO., LTD. (JP) 1995-02-21 US 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