SCHEMBL11264301

SCHEMBL11264301

C=CCN(CCCCCCC)C(=O)Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 4/20 0.47
ZDHHC2 Q9UIJ5 2/20 0.47
FAAH O00519 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA9 Q16790 3/20 0.40
CA2 P00918 1/20 0.40
TSHR P16473 3/20 0.39
MGLL Q99685 1/20 0.37
EP300 Q09472 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL11368871 0.93 ALDH1A1 (0.44) ZDHHC20ZDHHC2FAAHALDH1A1CA12
SCHEMBL11370672 0.85 ALDH1A1 (0.42) ZDHHC20ZDHHC2FAAHALDH1A1CA12
SCHEMBL14244845 0.82 CA12 (0.50) ZDHHC20ZDHHC2ALDH1A1CA12CA1
SCHEMBL1920829 0.82 CA12 (0.50) ZDHHC20ZDHHC2ALDH1A1CA12CA1
SCHEMBL11883049 0.82 CA12 (0.50) ZDHHC20ZDHHC2ALDH1A1CA12CA1
SCHEMBL8627810 0.82 CA12 (0.50) ZDHHC20ZDHHC2ALDH1A1CA12CA1
SCHEMBL11589764 0.82 CA12 (0.50) ZDHHC20ZDHHC2ALDH1A1CA12CA1
SCHEMBL8681098 0.82 CA12 (0.50) ZDHHC20ZDHHC2ALDH1A1CA12CA1
SCHEMBL1920702 0.82 CA12 (0.50) ZDHHC20ZDHHC2ALDH1A1CA12CA1
SCHEMBL14245075 0.82 CA12 (0.50) ZDHHC20ZDHHC2ALDH1A1CA12CA1

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-4339455-A 1-(3-Pyridyl)-2,2,2-trihaloethyl compounds and fungicidal compositions containing the same CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1982-07-13 US disclosed
US-4189486-A FUNGICIDES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1980-02-19 US disclosed