SCHEMBL19569869

SCHEMBL19569869

C=C(C)C(=O)OCCCOCc1cc(-c2ccc(S(=O)(=O)c3ccc(-c4ccc(OC(C)C)c(COCCCOC(=O)C(=C)C)c4)cc3)cc2)ccc1OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
POLB P06746 3/20 0.33
ALDH1A1 P00352 2/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
SRD5A2 P31213 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
SCHEMBL19564854 0.94 SMN1; SMN2 (0.33) TSHRPOLBALDH1A1APEX1HTT
SCHEMBL24756135 0.89 GAA (0.40) TSHRPOLBALDH1A1APEX1HTT
SCHEMBL812232 0.87 ALDH1A1 (0.38) TSHRPOLBALDH1A1APEX1HTT
SCHEMBL812217 0.83 ALDH1A1 (0.39) TSHRPOLBALDH1A1MEN1PKM
SCHEMBL822715 0.78 ALDH1A1 (0.36) TSHRPOLBALDH1A1PKMKMT2A
SCHEMBL16843139 0.77 ALDH1A1 (0.37) TSHRPOLBALDH1A1MEN1PKM
SCHEMBL19569871 0.77 ALDH1A1 (0.45) TSHRPOLBALDH1A1MEN1PKM
SCHEMBL811794 0.76 KMT2A (0.43) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19564847 0.76 THRB (0.39) TSHRPOLBALDH1A1KMT2AGAA
SCHEMBL19569884 0.75 THRB (0.34) TSHRPOLBALDH1A1PKMKMT2A

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
US-20170320984-A1 OPTICAL COMPOSITION, CURED PRODUCT, AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2017-11-09 US disclosed