SCHEMBL7074063

SCHEMBL7074063

CCCCCCCCCOc1ccc(-c2ccc(-c3ccc(OCCCCCCCCC)c(C=O)c3)cc2)cc1C=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.55
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN6 P29350 1/20 0.51
ERN1 O75460 1/20 0.46
RARB P10826 3/20 0.44
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5103559 0.94 ALDH1A1 (0.60) PTPN11ALDH1A1MAPTKDM4EMEN1
SCHEMBL12952737 0.87 PTPN11 (0.44) PTPN11ALDH1A1MAPTKDM4EMEN1
SCHEMBL12952713 0.85 ALDH1A1 (0.44) PTPN11ALDH1A1MAPTKDM4EMEN1
SCHEMBL18901651 0.84 LMNA (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3628620 0.84 LMNA (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL31078471 0.84 LMNA (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL278733 0.84 LMNA (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL26103495 0.84 LMNA (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL28415341 0.84 MAPT (0.46) PTPN11ALDH1A1MAPTKDM4EMEN1
SCHEMBL13581078 0.83 ALDH1A1 (0.50) PTPN11ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630076-B1 Liquid crystal polymer thin films, optics, electrooptics ROLIC AG (CH) 2003-10-07 US disclosed
EP-1102741-B1 LIQUID CRYSTALLINE COMPOUNDS ROLIC AG (CH) 2003-07-02 EP disclosed
EP-1102741-A1 LIQUID CRYSTALLINE COMPOUNDS Rolic AG (CH) 2001-05-30 EP disclosed
WO-2000007975-A1 LIQUID CRYSTALLINE COMPOUNDS ROLIC AG (CH) 2000-02-17 WO disclosed