SCHEMBL9861404

SCHEMBL9861404

O=C(O)CCCCCCSOS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
LMNA P02545 3/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
GPR84 Q9NQS5 8/20 0.40
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
ALDH1A1 P00352 4/20 0.39
PRMT1 Q99873 1/20 0.39
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
HDAC11 Q96DB2 5/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.39
FABP4 P15090 2/20 0.39
ALOX15 P16050 2/20 0.39
PTPN1 P18031 2/20 0.39
KMT2A Q03164 2/20 0.39

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 1.00 TSHR (0.46) TSHRLMNANFKB1PMP22GPR84
SCHEMBL9861163 1.00 TSHR (0.46) TSHRLMNANFKB1PMP22GPR84
SCHEMBL9861435 0.98 LMNA (0.44) TSHRLMNANFKB1PMP22GPR84
SCHEMBL9861101 0.92 TSHR (0.42) TSHRLMNANFKB1PMP22GPR84
SCHEMBL9861722 0.84 TSHR (0.46) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL9861088 0.78 CA2 (0.36) GPR84FFAR1FFAR4
SCHEMBL5078852 0.76 NPC1 (0.33) LMNA
SCHEMBL10706098 0.76 NPC1 (0.33) LMNA
SCHEMBL5136467 0.76 CA2 (0.42) PPARAHSD17B10THRB
SCHEMBL15709119 0.76 APP (0.38) TSHRLMNAPMP22ALDH1A1MEN1

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