SCHEMBL7759987

SCHEMBL7759987

C=CC(=O)OC(C)OC(CCC)OCC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
THRB P10828 2/20 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
SCHEMBL19583209 0.88 TSHR (0.36) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL1507509 0.85 TSHR (0.40) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL36436 0.82 TSHR (0.41) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL6988748 0.81 TSHR (0.33) TSHRHPGD
SCHEMBL27590135 0.80 TSHR (0.40) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL4256290 0.80 TSHR (0.35) TSHRALDH1A1SMN1; SMN2
SCHEMBL28343973 0.80 TSHR (0.40) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL147629 0.79 TSHR (0.45) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL19583210 0.78 TSHR (0.39) TSHRHPGDALDH1A1TP53CYP3A4
SCHEMBL19583244 0.78 TSHR (0.38) TSHRHPGDALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0795580-B1 VULCANIZABLE RUBBER COMPOSITION, SEAL TO BE USED IN DYNAMIC STATE, AND MATERIAL THEREFOR NIPPON ZEON CO (JP) 2001-03-21 EP disclosed
US-5852093-A Vulcanizable rubber composition, seal used in dynamic state, and sealing material NIPPON ZEON CO., LTD. (JP) 1998-12-22 US disclosed
EP-0704480-B1 Rubber composition comprising nitrile group-containing highly saturated copolymer rubber and ethylenically saturated copolymer rubber NIPPON ZEON CO (JP) 1998-01-28 EP disclosed
US-5683819-A Composite of highly saturated nitrile rubber with fiber, and belt composed thereof NIPPON ZEON CO., LTD. (JP) 1997-11-04 US disclosed
EP-0704479-B1 Composite of highly saturated nitrile rubber with fiber, and belt composed thereof NIPPON ZEON CO (JP) 1997-09-24 EP disclosed
EP-0704459-B1 Highly saturated nitrile rubber, process for producing same, vulcanizable rubber composition, aqueous emulsion and adhesive composition NIPPON ZEON CO (JP) 1997-09-24 EP disclosed
EP-0795580-A1 VULCANIZABLE RUBBER COMPOSITION, SEAL TO BE USED IN DYNAMIC STATE, AND MATERIAL THEREFOR NIPPON ZEON CO., LTD. (JP) 1997-09-17 EP disclosed
US-5651995-A Highly saturated nitrile rubber, process for producing same, vulcanizable rubber composition, aqueous emulsion and adhesive composition NIPPON ZEON CO., LTD. (JP) 1997-07-29 US disclosed
US-5556919-A Rubber composition comprising nitrile group-containing highly saturated copolymer rubber and ethylenically saturated copolymer rubber NIPPON ZEON CO., LTD. (JP) 1996-09-17 US disclosed
EP-0704459-A1 Highly saturated nitrile rubber, process for producing same, vulcanizable rubber composition, aqueous emulsion and adhesive composition NIPPON ZEON CO., LTD. (JP) 1996-04-03 EP disclosed
EP-0704480-A1 Rubber composition comprising nitrile group-containing highly saturated copolymer rubber and ethylenically saturated copolymer rubber NIPPON ZEON CO., LTD. (JP) 1996-04-03 EP disclosed
EP-0704479-A1 Composite of highly saturated nitrile rubber with fiber, and belt composed thereof NIPPON ZEON CO., LTD. (JP) 1996-04-03 EP disclosed