SCHEMBL11319795

SCHEMBL11319795

C=C(C(=O)Oc1ccccc1)C(C)C(=O)NCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZDHHC2 Q9UIJ5 1/20 0.54
NAAA Q02083 3/20 0.52
MGLL Q99685 1/20 0.45
EPHX1 P07099 3/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
SIRT2 Q8IXJ6 2/20 0.45
SIRT1 Q96EB6 1/20 0.45

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
SCHEMBL11308883 0.95 ZDHHC2 (0.47) ZDHHC2NAAAHTT
SCHEMBL11310696 0.84 MTNR1A (0.42) ZDHHC2ALDH1A1
SCHEMBL11318243 0.80 EPHX1 (0.50) ZDHHC2NAAAEPHX1
SCHEMBL11371693 0.78 TSHR (0.48) ZDHHC2NAAAEPHX1
SCHEMBL11307392 0.77 ALDH1A1 (0.42) ALDH1A1
SCHEMBL21891896 0.76 MGLL (0.73) ZDHHC2MGLL
SCHEMBL28570445 0.76 MGLL (0.73) ZDHHC2MGLL
SCHEMBL22472046 0.76 MGLL (0.73) ZDHHC2MGLL
SCHEMBL6757093 0.76 MGLL (0.73) ZDHHC2MGLL
SCHEMBL28333275 0.76 MGLL (0.73) ZDHHC2MGLL

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-4279833-A COATINGS ASHLAND CHEMICAL COMPANY (US) 1981-07-21 US disclosed