SCHEMBL6937744

SCHEMBL6937744

CCCCCCCCOC(=O)C1CCCC(OCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.45
PPARG P37231 3/20 0.45
BCHE P06276 5/20 0.44
CHRM2 P08172 3/20 0.44
CHRM4 P08173 3/20 0.44
CHRM5 P08912 3/20 0.44
CHRM1 P11229 3/20 0.44
CHRM3 P20309 3/20 0.44
EPHX2 P34913 1/20 0.43
CETP P11597 3/20 0.41

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
SCHEMBL402701 0.84 TSHR (0.49) TSHRALDH1A1
SCHEMBL28279378 0.81 EPHX2 (0.43) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL13163103 0.79 TSHR (0.52) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL402536 0.78 AGTR2 (0.49) ALDH1A1BCHEEPHX2
SCHEMBL6881658 0.78 AGTR2 (0.49) ALDH1A1BCHEEPHX2
SCHEMBL1296825 0.78 EPHX2 (0.57) TSHRMAPK1PPARGEPHX2
SCHEMBL1297503 0.78 EPHX2 (0.57) TSHRMAPK1PPARGEPHX2
SCHEMBL1296635 0.78 EPHX2 (0.57) TSHRMAPK1PPARGEPHX2
SCHEMBL1296441 0.78 EPHX2 (0.57) TSHRMAPK1PPARGEPHX2
SCHEMBL1297414 0.78 EPHX2 (0.57) TSHRMAPK1PPARGEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
CN-1262276-A Phosphine sulfide preparing process and use thereof MITSUI CHEMICALS INC (JP) 2000-08-09 CN disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed