SCHEMBL13865627

SCHEMBL13865627

C=CC(=O)OCC(CCCCCCOc1ccc(C(=O)Oc2c(F)c(F)c(OC(=O)c3ccc(OCCCCCCC(COC(=O)C=C)OC(=O)C=C)cc3)c(F)c2F)cc1)OC(=O)C=C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 5/20 0.39
HTT P42858 3/20 0.38
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
PLA2G4B P0C869 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
RARB P10826 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL13865615 0.91 NPC1 (0.43) LSSHTTNPC1LMNANFKB1
SCHEMBL13865597 0.91 NPC1 (0.43) LSSHTTNPC1LMNANFKB1
SCHEMBL13865620 0.90 NPC1 (0.38) LSSHTTNPC1LMNANFKB1
SCHEMBL13806742 0.88 PLA2G4B (0.43) LSSHTTNPC1LMNANFKB1
SCHEMBL15293312 0.85 HTT (0.48) LSSHTTNPC1LMNANFKB1
SCHEMBL13380171 0.85 HTT (0.48) LSSHTTNPC1LMNANFKB1
SCHEMBL15293305 0.85 HTT (0.48) LSSHTTNPC1LMNANFKB1
SCHEMBL15293320 0.85 HTT (0.48) LSSHTTNPC1LMNANFKB1
SCHEMBL15284731 0.85 HTT (0.48) LSSHTTNPC1LMNANFKB1
SCHEMBL15293315 0.85 HTT (0.48) LSSHTTNPC1LMNANFKB1

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-7527746-B2 Liquid crystal polyfunctional acrylate derivative and polymer thereof CHISSO CORPORATION (JP) 2009-05-05 US disclosed
US-7527746-B2 Liquid crystal polyfunctional acrylate derivative and polymer thereof CHISSO CORPORATION (JP) 2009-05-05 US disclosed