SCHEMBL28136458

SCHEMBL28136458

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OP(O)O.[BaH2]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
F7 P08709 4/20 0.61
F3 P13726 4/20 0.61
KDM4E B2RXH2 3/20 0.61
PPARG P37231 3/20 0.61
PPARD Q03181 3/20 0.61
PPARA Q07869 3/20 0.61
FABP3 P05413 3/20 0.61
FFAR1 O14842 3/20 0.61
PTGS1 P23219 2/20 0.61
CYP3A4 P08684 2/20 0.61
ALOX15 P16050 2/20 0.61
TSHR P16473 2/20 0.61
HSD17B10 Q99714 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
DUSP3 P51452 1/20 0.61
PTPN7 P35236 1/20 0.61
LMNA P02545 1/20 0.61
CYP19A1 P11511 1/20 0.61
FABP4 P15090 1/20 0.61

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
SCHEMBL27979349 0.97 PPARG (0.56) ALDH1A1F7F3KDM4EPPARG
SCHEMBL2938077 0.95 PPARG (0.58) ALDH1A1F7F3KDM4EPPARG
SCHEMBL22289039 0.95 PPARG (0.58) ALDH1A1F7F3KDM4EPPARG
SCHEMBL11622319 0.94 PPARG (0.56) ALDH1A1F7F3KDM4EPPARG
SCHEMBL11623139 0.94 PPARG (0.56) ALDH1A1F7F3KDM4EPPARG
SCHEMBL28370092 0.88 ALDH1A1 (0.61) ALDH1A1F7F3KDM4EPPARG
SCHEMBL7124932 0.87 EPHX2 (0.55) ALDH1A1F7F3KDM4EPPARG
SCHEMBL20981535 0.85 TERT (0.58) F7F3PPARGPPARDPPARA
SCHEMBL322340 0.85 TERT (0.58) F7F3PPARGPPARDPPARA
SCHEMBL27962340 0.85 DGKA (0.57) ALDH1A1PPARGPPARDPPARAFABP3

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-103319811-B Method for synthesizing organic salt heat stabilizer 浙江传化华洋化工有限公司 2017-04-12 CN disclosed