SCHEMBL3504002

SCHEMBL3504002

C=C(C)COC(=O)CCCCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.47
DGKA P23743 1/20 0.42
TSHR P16473 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
DUSP3 P51452 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PRKCA P17252 3/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
MAPT P10636 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37

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
SCHEMBL17169822 0.90 PAM (0.50) PAMDGKATSHRKDM4ELMNA
SCHEMBL3503528 0.85 PAM (0.67) PAMDGKATSHRKDM4ELMNA
SCHEMBL3504155 0.85 PAM (0.67) PAMDGKATSHRKDM4ELMNA
SCHEMBL3503950 0.85 PAM (0.67) PAMDGKATSHRKDM4ELMNA
SCHEMBL1333815 0.85 PAM (0.67) PAMDGKATSHRKDM4ELMNA
SCHEMBL3504013 0.85 PAM (0.67) PAMDGKATSHRKDM4ELMNA
SCHEMBL3503863 0.85 PAM (0.67) PAMDGKATSHRKDM4ELMNA
SCHEMBL12917490 0.84 PAM (0.50) PAMDGKATSHRGPR84FFAR1
SCHEMBL3503610 0.82 PAM (0.63) PAMDGKATSHRKDM4ELMNA
SCHEMBL12917486 0.82 PAM (0.47) PAMDGKATSHRGPR84FFAR1

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
US-20150191607-A1 Anti-fouling Paints and Coatings REACTIVE SURFACES, LTD (US) 2015-07-09 US disclosed
US-20100210745-A1 Molecular Healing of Polymeric Materials, Coatings, Plastics, Elastomers, Composites, Laminates, Adhesives, and Sealants by Active Enzymes REACTIVE SURFACES, LTD. (US) 2010-08-19 US disclosed