SCHEMBL11775809

SCHEMBL11775809

CCCCCC(/C=C/I)OC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.41
PDE4D Q08499 4/20 0.40
CA1 P00915 2/20 0.40
FAAH O00519 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPA1 O75762 1/20 0.37
DDAH1 O94760 1/20 0.37
GAPDH P04406 1/20 0.37
MAPT P10636 1/20 0.37
GLS2 Q9UI32 1/20 0.36
PRKCA P17252 2/20 0.36
GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL11775820 1.00 GALR3 (0.41) GALR3PDE4DCA1FAAHMEN1
SCHEMBL11516139 0.86 GALR3 (0.41) GALR3PDE4DFAAHMEN1KMT2A
SCHEMBL11516146 0.86 GALR3 (0.41) GALR3PDE4DFAAHMEN1KMT2A
SCHEMBL11570964 0.83 MEN1 (0.42) GALR3PDE4DFAAHMEN1KMT2A
SCHEMBL17633873 0.83 GALR3 (0.42) GALR3PDE4DFAAHMEN1KMT2A
SCHEMBL11570963 0.83 MEN1 (0.42) GALR3PDE4DFAAHMEN1KMT2A
SCHEMBL17633875 0.83 GALR3 (0.42) GALR3PDE4DFAAHMEN1KMT2A
SCHEMBL6382812 0.81 FAAH (0.40) GALR3CA1FAAHTRPA1DDAH1
SCHEMBL17421826 0.81 GALR3 (0.39) GALR3PDE4DFAAHMEN1KMT2A
SCHEMBL17421823 0.81 GALR3 (0.39) GALR3PDE4DFAAHMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3962353-A DIISOBUTYLALUMINUM HYDRIDE, IODINATION WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1976-06-08 US disclosed
US-3962352-A 3-Substituted iodo alkenyl compounds and methods for preparing same WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1976-06-08 US disclosed
US-3962351-A PROSTAGLANDIN INTERMEDIATES, BACTERICIDES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1976-06-08 US disclosed