SCHEMBL4210174

SCHEMBL4210174

CCCCCCCCCCCCCC(=O)OCc1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
DGKA P23743 1/20 0.51
PAM P19021 2/20 0.47
ELANE P08246 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 2/20 0.45
LMNA P02545 1/20 0.45
XBP1 P17861 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL4208831 1.00 MAPT (0.52) MAPTDGKAPAMELANEHDAC3
SCHEMBL4212205 1.00 MAPT (0.52) MAPTDGKAPAMELANEHDAC3
SCHEMBL4207600 1.00 MAPT (0.52) MAPTDGKAPAMELANEHDAC3
SCHEMBL4217307 1.00 MAPT (0.52) MAPTDGKAPAMELANEHDAC3
SCHEMBL4204821 1.00 MAPT (0.52) MAPTDGKAPAMELANEHDAC3
SCHEMBL3814877 0.92 DGKA (0.60) MAPTDGKAPAMELANETSHR
SCHEMBL4812821 0.88 DGKA (0.51) MAPTDGKAPAMELANETSHR
SCHEMBL4212801 0.87 DGKA (0.55) MAPTDGKAPAMELANETSHR
SCHEMBL4211547 0.87 DGKA (0.55) MAPTDGKAPAMELANETSHR
SCHEMBL4206910 0.87 DGKA (0.55) MAPTDGKAPAMELANETSHR

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-7494537-B2 Thermochromic coloring color-memory composition and thermochromic coloring color-memory microcapsule pigment containing the same THE PILOT INK CO., LTD. (JP) 2009-02-24 US disclosed
EP-1657073-B1 Reversible thermochromic composition and microcapsules containing the same PILOT INK CO LTD (JP) 2008-02-27 EP disclosed
US-20060112851-A1 Thermochromic coloring color-memory composition and thermochromic coloring color-memory microcapsule pigment containing the same THE PILOT INK CO., LTD. 2006-06-01 US disclosed
EP-1657073-A2 Reversible thermochromic composition and microcapsules containing the same THE PILOT INK CO., LTD. (JP) 2006-05-17 EP disclosed