SCHEMBL18878971

SCHEMBL18878971

CCON1C(C)(C)CC(OCCOC(C)=O)CC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.36
ESR1 P03372 1/20 0.36
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 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
SCHEMBL18878973 0.80 ALDH1A1 (0.30) ALDH1A1TSHRKMT2A
SCHEMBL20073661 0.80 TSHR (0.51) ALDH1A1TSHRKMT2AHSD17B10ESR1
SCHEMBL987130 0.75 TSHR (0.50) ALDH1A1TSHRKMT2AHSD17B10ESR1
SCHEMBL3473691 0.75 TSHR (0.41) ALDH1A1TSHRKMT2AHSD17B10ESR1
SCHEMBL13130571 0.74 TSHR (0.39) ALDH1A1TSHRKMT2AHSD17B10ESR1
Fumaric Acid SCHEMBL3796831 0.72 TSHR (0.48) ALDH1A1TSHRKMT2AHSD17B10ESR1
Maleic Acid SCHEMBL3796821 0.72 TSHR (0.48) ALDH1A1TSHRKMT2AHSD17B10ESR1
Fumaric Acid SCHEMBL3796830 0.72 TSHR (0.48) ALDH1A1TSHRKMT2AHSD17B10ESR1
SCHEMBL12545028 0.71 TSHR (0.49) TSHRKMT2ALMNAMEN1
SCHEMBL2864052 0.71 TSHR (0.46) ALDH1A1TSHRKMT2AHSD17B10ESR1

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
EP-2716666-B1 CURING COMPOSITION AND POLYMER MITSUBISHI CHEM CORP (JP) 2017-11-15 EP disclosed
US-20170198076-A1 CURABLE COMPOSITION AND POLYMER MITSUBISHI RAYON CO., LTD. (JP) 2017-07-13 US disclosed
US-9663603-B2 Curable composition and polymer MITSUBISHI RAYON CO., LTD. (JP) 2017-05-30 US disclosed