SCHEMBL9839324

SCHEMBL9839324

CCCCC(CC)C(OC(C)=O)C(OC(C(CC)CC)C(OC(C)=O)C(CC)CCCC)C(CC)CC

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.37
CA1 P00915 4/20 0.37
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CTSK P43235 2/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
PRKCA P17252 3/20 0.33
PRKCD Q05655 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
SCHEMBL14838542 0.77 TDP1 (0.45) ALDH1A1TDP1TSHRPRKCA
SCHEMBL28471274 0.77 CA2 (0.40) CA2CA1MAPK1ALDH1A1TDP1
SCHEMBL9839328 0.75 PLA2G2C (0.38) CA2CA1ALDH1A1CTSK
SCHEMBL8035919 0.75 CA2 (0.39) CA2CA1MAPK1ALDH1A1TDP1
SCHEMBL21811924 0.75 CA2 (0.39) CA2CA1MAPK1ALDH1A1TDP1
SCHEMBL28325468 0.75 CA2 (0.39) CA2CA1MAPK1ALDH1A1TDP1
SCHEMBL21811655 0.75 CA2 (0.39) CA2CA1MAPK1ALDH1A1TDP1
SCHEMBL3023868 0.75 CA2 (0.41) CA2CA1MAPK1ALDH1A1TDP1
SCHEMBL8679148 0.71 CA2 (0.39) CA2CA1MAPK1ALDH1A1TDP1
SCHEMBL7516768 0.70 ALDH1A1 (0.41) CA2CA1MAPK1ALDH1A1TDP1

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-5053556-A Process for producing alkenyl ethers CHISSO CORPORATION (JP) 1991-10-01 US disclosed
EP-0381481-A1 A process for producing alkenyl ethers Chisso Corporation (JP) 1990-08-08 EP disclosed