SCHEMBL4169697

SCHEMBL4169697

[CH2]CCCCCCCCCCOC=CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.38
TSHR P16473 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TP53 P04637 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
EGLN3 Q9H6Z9 1/20 0.31

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
SCHEMBL29022873 0.89 HCAR2 (0.44) HCAR2TSHRALDH1A1CYP3A4TP53
SCHEMBL14415089 0.80 HCAR2 (0.59) HCAR2TSHRALDH1A1
SCHEMBL729878 0.80 HCAR2 (0.59) HCAR2TSHRALDH1A1
SCHEMBL10670938 0.80 HCAR2 (0.59) HCAR2TSHRALDH1A1
1,6-Hexanediol SCHEMBL30396849 0.79 TSHR (0.38) HCAR2TSHRALDH1A1CYP3A4
SCHEMBL28510587 0.78 TSHR (0.44) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL5477920 0.78 HCAR2 (0.58) HCAR2ALDH1A1
SCHEMBL10666453 0.77 HCAR2 (0.51) HCAR2TSHR
SCHEMBL8618537 0.76 HCAR2 (0.40) HCAR2TSHRALDH1A1CYP3A4
SCHEMBL10670876 0.76 HCAR2 (0.54) HCAR2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2070998-B1 Inkjet recording ink composition and inkjet recording method FUJIFILM CORP (JP) 2015-04-08 EP disclosed
US-20090155484-A1 Inkjet recording ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2009-06-18 US disclosed
EP-2070998-A1 Inkjet recording ink composition and inkjet recording method Fujifilm Corporation (JP) 2009-06-17 EP disclosed