SCHEMBL28018334

SCHEMBL28018334

CC=CC(=O)OCC=C(C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.36
HCAR2 Q8TDS4 5/20 0.35
GSTP1 P09211 1/20 0.34
ATM Q13315 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
PTGS1 P23219 1/20 0.31
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 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
SCHEMBL29412942 0.80 HCAR2 (0.48) TTRHCAR2GSTP1ATMALDH1A1
SCHEMBL8425135 0.78 TSHR (0.44) TTRALDH1A1ALOX15MAPTCACNA1B
SCHEMBL14906813 0.77 ALDH1A1 (0.48) ALDH1A1ALOX15PTGS1
SCHEMBL5370047 0.77 ALDH1A1 (0.48) ALDH1A1ALOX15PTGS1
SCHEMBL5370053 0.77 ALDH1A1 (0.48) ALDH1A1ALOX15PTGS1
SCHEMBL2504035 0.76 GSTP1 (0.30) HCAR2GSTP1ALDH1A1MAPT
SCHEMBL4331574 0.75 GRIK1 (0.30)
SCHEMBL4336993 0.75
SCHEMBL28725778 0.74 GSTP1 (0.40) TTRHCAR2GSTP1ATMALDH1A1
SCHEMBL6250744 0.74 ALOX15 (0.41) ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104672791-A Flame-retardant and antistatic PBT/PET composite material QINGDAO JIAYIYANG INDUSTRY & TRADE CO LTD 2015-06-03 CN disclosed