SCHEMBL28060902

SCHEMBL28060902

CC(C)OC(=O)/C=C/C(=O)OC(C)C.CCCCC(CC)COC(=O)/C=C/C(=O)OCC(CC)CCCC

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
CYP3A4 P08684 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
ATM Q13315 2/20 0.55
ALDH1A1 P00352 6/20 0.49
CA2 P00918 3/20 0.49
RECQL P46063 1/20 0.47
LMNA P02545 3/20 0.45
HCAR2 Q8TDS4 3/20 0.44
MAPK1 P28482 3/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43

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
SCHEMBL10499091 1.00 TSHR (0.65) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL3514269 1.00 TSHR (0.65) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL10499083 1.00 TSHR (0.65) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL226708 0.90 TSHR (0.77) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL423544 0.90 TSHR (0.77) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL87501 0.90 TSHR (0.77) TSHRCYP3A4TDP1ATMALDH1A1
Butane SCHEMBL10783052 0.89 TSHR (0.75) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL19529571 0.87 TSHR (0.73) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL821205 0.85 TSHR (0.71) TSHRCYP3A4TDP1ATMALDH1A1
SCHEMBL29288070 0.85 TSHR (0.71) TSHRCYP3A4TDP1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103717660-B Resin combination, the optical compensation films using it and optical compensation film manufacturing method TOSOH CORP. (JP) 2016-04-20 CN disclosed