SCHEMBL5069039

SCHEMBL5069039

C=CCC(C)C(=O)CCC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
FAAH O00519 2/20 0.36
CES2 O00748 2/20 0.35
CES1 P23141 1/20 0.35
FFAR3 O14843 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 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
SCHEMBL29124810 0.88 CES2 (0.44) TSHRFAAHCES2CES1LMNA
SCHEMBL3908897 0.86 CES2 (0.52) TSHRFAAHCES2CES1LMNA
SCHEMBL12857912 0.82
SCHEMBL12857629 0.82
SCHEMBL5088544 0.82
SCHEMBL3701829 0.77 ABCC4 (0.38) TSHRFAAHCES2CES1FFAR3
SCHEMBL27930477 0.77 GRIK1 (0.41) TSHRFAAHCES2CES1FFAR3
SCHEMBL5060532 0.77 GRIK1 (0.37) TSHRFAAHCES2CES1MAPK1
SCHEMBL17112013 0.77 GRIK1 (0.35) TSHRCES2CES1FFAR3HDAC3
SCHEMBL14641477 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2039361-A2 Use of immunomodulatory compounds Eisai R&D Management Co., Ltd. (JP) 2009-03-25 EP disclosed
US-20080312112-A1 Lubricating formulations for dispersancy and temperature, friction, and wear reduction LYON DEVELOPMENT CORPORATION 2008-12-18 US disclosed