SCHEMBL17145802

SCHEMBL17145802

C=CC(=O)NCC(C)C(C)COCC(O)C(O)C(O)C(O)CO

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE4A P27815 1/20 0.30

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
SCHEMBL1563416 0.81 KDM4E (0.45) KDM4ETSHRALDH1A1MAPK1TDP1
SCHEMBL3690001 0.81 KDM4E (0.45) KDM4ETSHRALDH1A1MAPK1TDP1
SCHEMBL14311200 0.81 KDM4E (0.45) KDM4ETSHRALDH1A1MAPK1TDP1
SCHEMBL14221970 0.81 KDM4E (0.45) KDM4ETSHRALDH1A1MAPK1TDP1
SCHEMBL106949 0.81 KDM4E (0.45) KDM4ETSHRALDH1A1MAPK1TDP1
SCHEMBL9173193 0.77 TDP1 (0.45) KDM4ETSHRALDH1A1MAPK1TDP1
SCHEMBL12198902 0.70 TSHR (0.41) TSHRALDH1A1MAPK1TDP1
SCHEMBL9889643 0.70 ALDH1A1 (0.56) TSHRALDH1A1MAPK1TDP1
SCHEMBL17183759 0.69 TSHR (0.50) TSHRALDH1A1MAPK1TDP1
SCHEMBL3909140 0.68 LMNA (0.65) KDM4EALDH1A1TDP1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150788-B2 Non-amphiphile-based water-in-water emulsion and uses thereof SYRACUSE UNIVERSITY (US) 2015-10-06 US disclosed