SCHEMBL14088592

SCHEMBL14088592

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
POLB P06746 2/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 3/20 0.41
LMNA P02545 3/20 0.41
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
SMN1; SMN2 Q16637 2/20 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
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 4/20 0.36
MEN1 O00255 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
SCHEMBL14088593 0.87 HTT (0.47) HTTPOLBAPEX1TDP1NPC1
SCHEMBL5952860 0.85 HTT (0.41) HTTPOLBAPEX1TDP1NPC1
SCHEMBL5961872 0.85 HTT (0.48) HTTPOLBAPEX1TDP1NPC1
SCHEMBL14088590 0.84 HTT (0.56) HTTPOLBAPEX1TDP1NPC1
SCHEMBL14088565 0.82 THRB (0.41) HTTPOLBNPC1LMNANFKB1
SCHEMBL5844203 0.81 POLB (0.58) HTTPOLBAPEX1TDP1NPC1
SCHEMBL16133504 0.81 NPC1 (0.51) HTTPOLBAPEX1TDP1NPC1
SCHEMBL13991607 0.80 HTT (0.41) HTTPOLBAPEX1TDP1NPC1
SCHEMBL12731196 0.79 NPC1 (0.51) HTTPOLBAPEX1TDP1NPC1
SCHEMBL14088404 0.79 RXRA (0.36) POLBKMT2AMAPTRXRARXRB

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