SCHEMBL6934192

SCHEMBL6934192

COC1CCC(C(=O)OC(=O)C2CCC(OC)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
TP53 P04637 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
GAA P10253 1/20 0.34
GRM1 Q13255 7/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33

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
SCHEMBL108442 0.88 TP53 (0.47) EPHX2TP53GAASMN1; SMN2
SCHEMBL6827910 0.88 TP53 (0.47) EPHX2TP53GAASMN1; SMN2
SCHEMBL13339539 0.88 TP53 (0.47) EPHX2TP53GAASMN1; SMN2
SCHEMBL2473642 0.86 EPHX2 (0.34) EPHX2TP53ADORA3GAAGRM1
SCHEMBL15588225 0.86 EPHX2 (0.34) EPHX2TP53ADORA3GAAGRM1
SCHEMBL19774486 0.84 EPHX2 (0.33) EPHX2TP53ADORA3GAAGRM1
SCHEMBL21360459 0.82 MAPT (0.51) GAA
SCHEMBL17453219 0.82 TP53 (0.47) EPHX2TP53GAASMN1; SMN2
SCHEMBL1957759 0.82 MAPT (0.51) GAA
SCHEMBL28003109 0.82 CHRNB2 (0.38) EPHX2ADORA3GRM1MAPK8MAPK10

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