SCHEMBL20709694

SCHEMBL20709694

C=CC(=O)OCCCCCCOc1ccc(C(=C)Oc2ccc(OC(=O)c3ccc(OC(=O)C=C)cc3)c(C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 3/20 0.39
MAPT P10636 2/20 0.38
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL10061462 0.94 NPC1 (0.44) HTTTDP1POLBAPEX1NPC1
SCHEMBL816945 0.94 NPC1 (0.44) HTTTDP1POLBAPEX1NPC1
SCHEMBL13944904 0.93 NPC1 (0.45) HTTTDP1POLBAPEX1NPC1
SCHEMBL13703597 0.93 HTT (0.39) HTTTDP1POLBAPEX1NPC1
SCHEMBL16674100 0.92 HTT (0.44) HTTTDP1POLBAPEX1NPC1
SCHEMBL18803342 0.92 NPC1 (0.44) HTTTDP1POLBAPEX1NPC1
SCHEMBL16425803 0.92 NPC1 (0.44) HTTTDP1POLBAPEX1NPC1
SCHEMBL20883271 0.92 NPC1 (0.44) HTTTDP1POLBAPEX1NPC1
SCHEMBL17721435 0.92 HTT (0.44) HTTTDP1POLBAPEX1NPC1
SCHEMBL9106264 0.92 HTT (0.44) HTTTDP1POLBAPEX1NPC1

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
EP-3438134-A1 POLYMERIZABLE COMPOSITION, CURED OBJECT, OPTICAL FILM FOR DISPLAY, AND PROCESS FOR PRODUCING CURED OBJECT Adeka Corporation (JP) 2019-02-06 EP disclosed