SCHEMBL14588255

SCHEMBL14588255

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C(=O)Oc4ccc(OCCCCCCOC(=O)C=C)c(C(F)(F)F)c4C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
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
THRB P10828 1/20 0.41
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 5/20 0.38
PRSS1 P07477 1/20 0.37
ACR P10323 1/20 0.37
POLB P06746 2/20 0.37
APEX1 P27695 1/20 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
SCHEMBL13107459 1.00 HTT (0.41) HTTNPC1LMNANFKB1NFKB2
SCHEMBL13107451 0.98 HTT (0.43) HTTNPC1LMNANFKB1NFKB2
SCHEMBL14088518 0.97 HDAC1 (0.39) HTTNPC1LMNANFKB1NFKB2
SCHEMBL5147035 0.96 HTT (0.44) HTTNPC1LMNANFKB1NFKB2
SCHEMBL13122639 0.95 THRB (0.39) HTTNPC1LMNANFKB1NFKB2
SCHEMBL13107468 0.95 THRB (0.45) HTTNPC1LMNANFKB1NFKB2
SCHEMBL13107497 0.93 HTT (0.39) HTTNPC1LMNANFKB1NFKB2
SCHEMBL14113606 0.93 THRB (0.40) HTTNPC1LMNANFKB1NFKB2
SCHEMBL14088514 0.93 HDAC1 (0.42) HTTNPC1LMNANFKB1NFKB2
SCHEMBL18200262 0.92 THRB (0.45) HTTNPC1LMNATHRBCYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157124-B2 Polymerizable compounds and their polymers CHISSO PETROCHEMICAL CORPORATION (JP) 2007-01-02 US disclosed
US-7157124-B2 Polymerizable compounds and their polymers CHISSO PETROCHEMICAL CORPORATION (JP) 2007-01-02 US disclosed