SCHEMBL7759124

SCHEMBL7759124

C=CCOC(=O)C1CC=CCC1(C)C(=O)OCC=C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 2/20 0.35
GAA P10253 2/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8590448 0.95 TSHR (0.45) TSHRPOLBMAPK1TP53GAA
SCHEMBL27569243 0.90 CA1 (0.35) TSHRPOLBMAPK1TP53GAA
SCHEMBL3784428 0.76 CYP3A4 (0.39) TSHRMAPK1TP53GAARECQL
SCHEMBL7077319 0.73 TP53 (0.42) TP53CYP3A4ALDH1A1
SCHEMBL11051483 0.73 TSHR (0.39) TSHRPOLBMAPK1TP53GAA
SCHEMBL10476964 0.72 TSHR (0.34) TSHRPOLBMAPK1TP53GAA
SCHEMBL28405609 0.72 MEN1 (0.33) POLBGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL472107 0.71 TSHR (0.59) TSHRPOLBMAPK1TP53GAA
SCHEMBL3780920 0.71 TSHR (0.46) TSHRPOLBMAPK1TP53GAA
SCHEMBL472066 0.69 CYP3A4 (0.33) TSHRTP53GAARECQLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593877-B1 Composition for optical material SHOWA DENKO KK (JP) 1999-01-27 EP claimed
US-5380809-A Composition for optical material SHOWA DENKO K.K. (JP) 1995-01-10 US claimed
EP-0593877-A1 Composition for optical material SHOWA DENKO KABUSHIKI KAISHA (JP) 1994-04-27 EP claimed
CN-1301354-A Resin composition for plastic lens use and plastic lens SHOWA DENKO KK (JP) 2001-06-27 CN disclosed
EP-1085350-A1 RESIN COMPOSITION FOR PLASTIC LENS USE AND PLASTIC LENS Showa Denko Kabushiki Kaisha (JP) 2001-03-21 EP disclosed
EP-0593877-B1 Composition for optical material SHOWA DENKO KK (JP) 1999-01-27 EP disclosed
US-5380809-A Composition for optical material SHOWA DENKO K.K. (JP) 1995-01-10 US disclosed
EP-0593877-A1 Composition for optical material SHOWA DENKO KABUSHIKI KAISHA (JP) 1994-04-27 EP disclosed