SCHEMBL14088593

SCHEMBL14088593

C=C(F)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCOC(=O)C(=C)F)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 4/20 0.37
HDAC3 O15379 2/20 0.37

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
SCHEMBL13664629 0.87 MAOB (0.34) HTTPOLBAPEX1TDP1NPC1
SCHEMBL14088592 0.87 HTT (0.44) HTTPOLBAPEX1TDP1NPC1
SCHEMBL14088595 0.86 THRA (0.40) HTTPOLBAPEX1TDP1LMNA
SCHEMBL14088590 0.85 HTT (0.56) HTTPOLBAPEX1TDP1NPC1
SCHEMBL5147035 0.84 HTT (0.44) HTTPOLBAPEX1TDP1NPC1
SCHEMBL13664635 0.84 MAOB (0.33) HTTPOLBAPEX1TDP1NPC1
SCHEMBL14088597 0.84 POLB (0.36) HTTPOLBAPEX1TDP1KMT2A
SCHEMBL14088568 0.83 HTT (0.45) HTTPOLBAPEX1TDP1NPC1
SCHEMBL13107519 0.83 TDP1 (0.51) HTTPOLBAPEX1TDP1NPC1
SCHEMBL13107468 0.83 THRB (0.45) HTTPOLBAPEX1TDP1NPC1

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-7410677-B2 Organosilicon compound-containing polymerizable liquid-crystal composition CHISSO CORPORATION (JP) 2008-08-12 US disclosed