SCHEMBL13263134

SCHEMBL13263134

O=C(OC1=CC=C(c2ccc(-c3ccc(C4CO4)c(F)c3F)cc2)C(F)C1)C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL9022369 0.77 KMT2A (0.44) KDM4EHPGDHTTKMT2APOLB
SCHEMBL10164683 0.69 HPGD (0.33) KDM4EHPGDKMT2APOLBL3MBTL1
SCHEMBL12999691 0.67 L3MBTL1 (0.31) HPGDHTTKMT2AALDH1A1L3MBTL1
SCHEMBL12822910 0.67 HPGD (0.39) KDM4EHPGDHTTKMT2AALDH1A1
SCHEMBL12823327 0.67 HPGD (0.39) KDM4EHPGDHTTKMT2AALDH1A1
SCHEMBL12717174 0.67 HPGD (0.32) HPGDKMT2AL3MBTL1
SCHEMBL13263219 0.66
SCHEMBL12999862 0.66 APP (0.40) HPGDHTTKMT2APOLBALDH1A1
SCHEMBL12823695 0.66 ALOX5AP (0.35) HPGDKMT2AL3MBTL1
SCHEMBL13586125 0.66 ALOX5AP (0.35) HPGDKMT2AL3MBTL1

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
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP disclosed