SCHEMBL4661747

SCHEMBL4661747

C=CC(C(=O)CCCCCCCCCCCCCC)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.50
FAAH O00519 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
CES1 P23141 3/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL1908016 0.81 FAAH (0.55) CES2FAAHMEN1MAPK1KMT2A
SCHEMBL11789802 0.81 FAAH (0.55) CES2FAAHMEN1MAPK1KMT2A
SCHEMBL27655840 0.76 CES2 (0.57) CES2FAAHMEN1MAPK1KMT2A
SCHEMBL3908897 0.76 CES2 (0.52) CES2FAAHMEN1MAPK1KMT2A
SCHEMBL28771948 0.75 CES2 (0.41) CES2FAAHMEN1MAPK1KMT2A
SCHEMBL83812 0.75 CES2 (0.50) CES2FAAHCES1
SCHEMBL24478517 0.74 CES2 (0.59) CES2FAAHMEN1MAPK1KMT2A
SCHEMBL20446673 0.74 CES2 (0.59) CES2FAAHMEN1MAPK1KMT2A
SCHEMBL8090670 0.74 CES2 (0.59) CES2FAAHMEN1MAPK1KMT2A
SCHEMBL2330133 0.74 CES2 (0.59) CES2FAAHMEN1MAPK1KMT2A

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-1493062-B1 NON-MAGNETIC MONOCOMPONENT COLOR TONER HAVING SUPERIOR LONG TERM STABILITY AND METHOD FOR PREPARING THE SAME LG CHEMICAL LTD (KR) 2008-12-31 EP claimed
EP-0787750-B1 Poly(alkylethylene) structural isomers BOREALIS GMBH (AT) 2003-05-14 EP claimed