SCHEMBL7224813

SCHEMBL7224813

CC(C)COC(=O)C(C)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.36
TDP1 Q9NUW8 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.34
P2RX4 Q99571 1/20 0.34
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS1 P23219 1/20 0.33
APEX1 P27695 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
SCHEMBL30145011 0.89 TSHR (0.52) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL15015616 0.80 TSHR (0.45) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL4419631 0.79 TSHR (0.48) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL561040 0.79 TSHR (0.48) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL25448264 0.78 TSHR (0.43) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL12729977 0.78 PRKCA (0.35) TSHR
SCHEMBL41548 0.78 TSHR (0.52) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL17212387 0.78 SMN1; SMN2 (0.35) TSHRALDH1A1SMN1; SMN2CA12CA14
SCHEMBL2275427 0.78 TSHR (0.52) TSHRALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL19731883 0.77 LMNA (0.46) ALDH1A1SMN1; SMN2TDP1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109810589-A Light converts resin combination, light conversion layer folds substrate and image display device 东友精细化工有限公司 2019-05-28 CN disclosed
US-6667285-B1 Branched-chain carboxylic acid monoalkyl ester with outstanding hydrolytic stability NEW JAPAN CHEMICAL CO., LTD. (JP) 2003-12-23 US disclosed
EP-1225213-A1 LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-24 EP disclosed