SCHEMBL28080699

SCHEMBL28080699

C=CC(=O)C(O)COC(=O)CCC(=O)OC.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
LMNA P02545 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DUSP3 P51452 1/20 0.33
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
DGKA P23743 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
SCHEMBL27994589 0.98 TSHR (0.46) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL28017251 0.97 TSHR (0.45) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL5066937 0.89 MAPT (0.40) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL28014378 0.82 LMNA (0.36) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL28108444 0.82 MAPT (0.50) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL28150222 0.81 LMNA (0.35) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL28102220 0.79 MGAM (0.40) TSHRLMNAALDH1A1MAPT
SCHEMBL28869982 0.77 TSHR (0.38) TSHRALDH1A1
SCHEMBL28131766 0.74 HCAR2 (0.46) TSHRALDH1A1MAPTKDM4EHSD17B10
SCHEMBL17696340 0.73 TSHR (0.49) TSHRLMNAALDH1A1MAPTKMT2A

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-103360867-B Ink composite, image forming method and photographic printed material 富士胶片株式会社 2016-08-03 CN disclosed