SCHEMBL21986996

SCHEMBL21986996

CC(C)CCCCCOC(=O)[C@H]1CC[C@@H](C(=O)OCCCCCC(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.37
NAAA Q02083 1/20 0.36
ESR1 P03372 1/20 0.36
RARB P10826 1/20 0.36
MAPT P10636 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
GBA2 Q9HCG7 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
SCHEMBL1297969 1.00 PPARG (0.37) PPARGNAAAESR1RARBMAPT
SCHEMBL1298237 1.00 PPARG (0.37) PPARGNAAAESR1RARBMAPT
SCHEMBL1297116 1.00 PPARG (0.37) PPARGNAAAESR1RARBMAPT
SCHEMBL1296923 1.00 PPARG (0.37) PPARGNAAAESR1RARBMAPT
SCHEMBL1296674 1.00 PPARG (0.37) PPARGNAAAESR1RARBMAPT
SCHEMBL1298235 1.00 PPARG (0.37) PPARGNAAAESR1RARBMAPT
SCHEMBL1296701 1.00 PPARG (0.37) PPARGNAAAESR1RARBMAPT
SCHEMBL1297269 1.00 PPARG (0.37) PPARGNAAAESR1RARBMAPT
SCHEMBL1297049 1.00 PPARG (0.37) PPARGNAAAESR1RARBMAPT
SCHEMBL1296660 1.00 PPARG (0.37) PPARGNAAAESR1RARBMAPT

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
CN-111269119-B Hydrogenation method for improving yield of cyclohexane-1, 4-dioctyl phthalate 南亚塑胶工业股份有限公司 2022-06-28 CN disclosed
US-10781159-B2 Hydrogenation method for increasing yield of cyclohexane-1,4-dicarboxylic acid diisooctyl ester NAN YA PLASTICS CORPORATION (TW) 2020-09-22 US disclosed
CN-111269119-A Hydrogenation method for improving yield of cyclohexane-1, 4-dioctyl phthalate 南亚塑胶工业股份有限公司 2020-06-12 CN disclosed
US-20200172463-A1 HYDROGENATION METHOD FOR INCREASING YIELD OF CYCLOHEXANE-1,4-DICARBOXYLIC ACID DIISOOCTYL ESTER NAN YA PLASTICS CORPORATION (TW) 2020-06-04 US disclosed