SCHEMBL28069497

SCHEMBL28069497

CCOP(=O)(C/C=C(\C)C=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
PPARD Q03181 2/20 0.42
BTN3A1 O00481 2/20 0.40
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL2458072 0.81 TSHR (0.48) TSHRPPARDBTN3A1TP53TDP1
SCHEMBL14457808 0.74 TSHR (0.41) TSHRPPARD
SCHEMBL28358348 0.74 TSHR (0.41) TSHRPPARDTP53TDP1MAPT
SCHEMBL8734587 0.74 TSHR (0.41) TSHRPPARDTP53TDP1MAPT
SCHEMBL1378158 0.73 TSHR (0.55) TSHRPPARDTP53TDP1MAPK1
SCHEMBL14151237 0.72 FNTA (0.50)
SCHEMBL28462097 0.72 TSHR (0.39) TSHRPPARDTP53TDP1MAPT
SCHEMBL28361944 0.72 TSHR (0.39) TSHRPPARDTP53TDP1MAPT
SCHEMBL5873561 0.72 GLO1 (0.40) TSHRPPARDMAPTMAPK1
SCHEMBL9653714 0.72 GLO1 (0.40) TSHRPPARDMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105541573-A Method for preparing 2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedial UNIV SICHUAN 2016-05-04 CN claimed
CN-105541573-A Method for preparing 2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedial UNIV SICHUAN 2016-05-04 CN disclosed