SCHEMBL9861435

SCHEMBL9861435

O=C(O)CCCCSOS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TSHR P16473 5/20 0.42
NFKB1 P19838 2/20 0.42
PMP22 Q01453 1/20 0.42
SLC22A6 Q4U2R8 2/20 0.39
BHMT Q93088 2/20 0.37
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
AKR1B1 P15121 1/20 0.37
CYP2D6 P10635 1/20 0.37
FOLH1 Q04609 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PRMT1 Q99873 1/20 0.36
PPARG P37231 3/20 0.35
PPARD Q03181 3/20 0.35
PPARA Q07869 3/20 0.35
HDAC11 Q96DB2 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
SLC22A8 Q8TCC7 1/20 0.35

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
SCHEMBL9861780 0.98 TSHR (0.46) LMNATSHRNFKB1PMP22SLC22A6
SCHEMBL9861163 0.98 TSHR (0.46) LMNATSHRNFKB1PMP22SLC22A6
SCHEMBL9861404 0.98 TSHR (0.46) LMNATSHRNFKB1PMP22SLC22A6
SCHEMBL9861101 0.94 TSHR (0.42) LMNATSHRNFKB1PMP22SLC22A6
SCHEMBL9861722 0.85 TSHR (0.46) LMNATSHRNFKB1PMP22SLC22A6
SCHEMBL9861798 0.77 CA2 (0.34)
SCHEMBL9861088 0.75 CA2 (0.36) GPR84FFAR1FFAR4
SCHEMBL10706098 0.73 NPC1 (0.33) LMNA
SCHEMBL5136467 0.73 CA2 (0.42) PPARAHSD17B10
SCHEMBL15709119 0.73 APP (0.38) LMNATSHRPMP22ALDH1A1MEN1

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-0150168-B1 USE OF METAL SALTS OF THIOSULPHURIC -S-ESTERS AS RUBBER/METAL BONDING PROMOTERS MONSANTO EUROPE S.A./N.V. (BE) 1991-05-08 EP disclosed
US-4581297-A STEEL BELTED RADIAL TIRES MONSANTO EUROPE, S.A. (BE) 1986-04-08 US disclosed
EP-0150168-A2 Use of metal salts of thiosulphuric -S-esters as rubber/metal bonding promoters MONSANTO EUROPE S.A./N.V. (BE) 1985-07-31 EP disclosed