SCHEMBL496301

SCHEMBL496301

O=C(CCCCCCCBr)OCc1ccco1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
TDP1 Q9NUW8 6/20 0.48
MAPK1 P28482 2/20 0.48
POLB P06746 6/20 0.43
TSHR P16473 1/20 0.43
ELANE P08246 2/20 0.42
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
GAA P10253 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
EPHX2 P34913 3/20 0.40
RECQL P46063 2/20 0.40

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
SCHEMBL11001635 0.94 ALDH1A1 (0.62) ALDH1A1EGFRERBB2TDP1MAPK1
SCHEMBL11000864 0.94 ALDH1A1 (0.62) ALDH1A1EGFRERBB2TDP1MAPK1
SCHEMBL11002116 0.94 ALDH1A1 (0.62) ALDH1A1EGFRERBB2TDP1MAPK1
SCHEMBL4624403 0.92 ALDH1A1 (0.64) ALDH1A1EGFRERBB2TDP1MAPK1
SCHEMBL10998807 0.89 ALDH1A1 (0.64) ALDH1A1EGFRERBB2TDP1MAPK1
SCHEMBL18100193 0.88 ALDH1A1 (0.55) ALDH1A1EGFRERBB2TDP1MAPK1
SCHEMBL18339201 0.87 ALDH1A1 (0.58) ALDH1A1EGFRERBB2ELANE
SCHEMBL925036 0.87 ALDH1A1 (0.58) ALDH1A1EGFRERBB2ELANE
SCHEMBL5166825 0.87 ALDH1A1 (0.58) ALDH1A1EGFRERBB2ELANE
SCHEMBL30152013 0.87 ALDH1A1 (0.58) ALDH1A1EGFRERBB2ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8105662-B2 Additive components for liquid crystalline materials ROLIC AG (CH) 2012-01-31 US disclosed
US-8105662-B2 Additive components for liquid crystalline materials ROLIC AG (CH) 2012-01-31 US disclosed
US-8105662-B2 Additive components for liquid crystalline materials ROLIC AG (CH) 2012-01-31 US disclosed
EP-1689827-B1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS ROLIC AG (CH) 2008-07-09 EP disclosed
EP-1689827-B1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS ROLIC AG (CH) 2008-07-09 EP disclosed
US-20070257230-A1 Additive Components for Liquid Crystalline Materials ROLIC AG (CH) 2007-11-08 US disclosed
US-20070257230-A1 Additive Components for Liquid Crystalline Materials ROLIC AG (CH) 2007-11-08 US disclosed
US-20070257230-A1 Additive Components for Liquid Crystalline Materials ROLIC AG (CH) 2007-11-08 US disclosed
EP-1689827-A1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS Rolic AG (CH) 2006-08-16 EP disclosed
WO-2005054406-A1 ADDITIVE COMPONENTS FOR LIQUID CRYSTALLINE MATERIALS ROLIC AG (CH) 2005-06-16 WO disclosed