SCHEMBL13865616

SCHEMBL13865616

C=CC(=O)OCC(CCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCC(COC(=O)C=C)OC(=O)C=C)cc3)c(C)c2)cc1)OC(=O)C=C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 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
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
LSS P48449 4/20 0.33
PRSS1 P07477 1/20 0.33
ACR P10323 1/20 0.33
RARB P10826 1/20 0.33

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
SCHEMBL13869317 0.92 LMNA (0.36) MAPTNPC1LMNAKMT2ANFKB1
SCHEMBL13865593 0.92 NPC1 (0.44) MAPTNPC1LMNAKMT2ANFKB1
SCHEMBL13865609 0.91 MAPT (0.39) MAPTNPC1LMNAKMT2ANFKB1
SCHEMBL18568355 0.91 MAPT (0.40) MAPTNPC1LMNAKMT2ANFKB1
SCHEMBL17709490 0.90 NPC1 (0.46) MAPTNPC1LMNAKMT2ANFKB1
SCHEMBL14974134 0.90 NPC1 (0.46) MAPTNPC1LMNAKMT2ANFKB1
SCHEMBL30004969 0.90 NPC1 (0.46) MAPTNPC1LMNAKMT2ANFKB1
SCHEMBL14916545 0.90 NPC1 (0.43) MAPTNPC1LMNAKMT2ANFKB1
SCHEMBL13865576 0.90 NPC1 (0.42) MAPTNPC1LMNAKMT2ANFKB1
SCHEMBL13806734 0.89 ADRB2 (0.38) MAPTNPC1LMNAKMT2ANFKB1

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