SCHEMBL2533712

SCHEMBL2533712

C=C/C(C)=C(\C)CCCC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.37
TSHR P16473 5/20 0.36
ALDH1A1 P00352 4/20 0.36
CES2 O00748 1/20 0.36
HPGD P15428 1/20 0.35
TP53 P04637 2/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
CA1 P00915 1/20 0.32
FAAH O00519 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
SCHEMBL2533714 1.00 CES1 (0.37) CES1TSHRALDH1A1CES2HPGD
SCHEMBL19189866 0.78 TSHR (0.35) TSHRALDH1A1TP53
SCHEMBL13772735 0.78 CES1 (0.36) CES1TSHRALDH1A1CES2HPGD
SCHEMBL6953420 0.76 CES1 (0.34) CES1TSHRALDH1A1CES2HPGD
SCHEMBL309930 0.75 CES1 (0.42) CES1TSHRALDH1A1CES2TP53
SCHEMBL309929 0.75 CES1 (0.42) CES1TSHRALDH1A1CES2TP53
SCHEMBL8400962 0.75 CES1 (0.37) CES1ALDH1A1CES2TP53CA1
SCHEMBL8400960 0.75 CES1 (0.37) CES1ALDH1A1CES2TP53CA1
SCHEMBL6472460 0.74 CES1 (0.50) CES1TSHRALDH1A1CES2TP53
SCHEMBL6472464 0.74 CES1 (0.50) CES1TSHRALDH1A1CES2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1522901-B1 Toner CANON KK (JP) 2016-03-16 EP disclosed
US-8293447-B2 Toner CANON KABUSHIKI KAISHA (JP) 2012-10-23 US disclosed
US-20110256480-A1 TONER CANON KABUSHIKI KAISHA (JP) 2011-10-20 US disclosed
US-20050106485-A1 Toner CANON KABUSHIKI KAISHA (JP) 2005-05-19 US disclosed
EP-1522901-A2 Toner CANON KABUSHIKI KAISHA (JP) 2005-04-13 EP disclosed