SCHEMBL3944331

SCHEMBL3944331

COC(=O)CCC(=O)OCC(C)C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.59
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CA12 O43570 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EPHX2 P34913 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4091598 0.91 TSHR (0.56) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL334176 0.91 TSHR (0.50) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL30529014 0.88 TSHR (0.48) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL27561555 0.88 TSHR (0.48) TSHRKMT2AMEN1LMNAKDM4E
Formaldehyde SCHEMBL28213876 0.86 LMNA (0.55) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL5859550 0.84 TSHR (0.50) TSHRKDM4ECA12CA14CA7
SCHEMBL28136838 0.83 MAPT (0.67) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL846984 0.82 EGLN1 (0.45) TSHRLMNAPOLBGAAALDH1A1
SCHEMBL1533356 0.82 TSHR (0.48) TSHRLMNAKDM4EPOLBGAA
SCHEMBL27827275 0.82 CYP1A2 (0.48) TSHRKMT2ALMNAPOLBGAA

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
US-7512309-B2 Polymer composition, plastic optical fiber, plastic optical fiber cable, and method for manufacturing plastic optical fiber MITSUBISHI RAYON CO, LTD. (JP) 2009-03-31 US disclosed
US-20080166091-A1 Polymer Composition, Plastic Optical Fiber, Plastic Optical Fiber Cable, and Method for Manufacturing Plastic Optical Fiber MITSUBISHI RAYON CO., LTD. (JP) 2008-07-10 US disclosed
EP-1834968-A1 POLYMER COMPOSITION, PLASTIC OPTICAL FIBER, PLASTIC OPTICAL FIBER CABLE AND METHOD FOR PRODUCING PLASTIC OPTICAL FIBER Mitsubishi Rayon Co., Ltd. (JP) 2007-09-19 EP disclosed