SCHEMBL11279407

SCHEMBL11279407

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
HPGD P15428 1/20 0.42
THRB P10828 2/20 0.37
ZDHHC20 Q5W0Z9 3/20 0.34
ZDHHC2 Q9UIJ5 2/20 0.34
THRA P10827 1/20 0.34
CA1 P00915 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
GPR84 Q9NQS5 3/20 0.33
FFAR1 O14842 1/20 0.33
ABCB1 P08183 1/20 0.32
FAAH O00519 2/20 0.32

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
SCHEMBL14956997 0.97 TSHR (0.42) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL11281825 0.94 TSHR (0.42) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL2830764 0.92 TSHR (0.43) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL11284071 0.89 TSHR (0.41) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL11521548 0.89 TSHR (0.43) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL500591 0.88 TSHR (0.42) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL499683 0.88 TSHR (0.42) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL11674285 0.88 TSHR (0.42) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL499596 0.88 TSHR (0.42) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL142507 0.87 TSHR (0.44) TSHRHPGDTHRBZDHHC20ZDHHC2

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
EP-0047009-A1 Hydrophilic interpolymers of acrylic acid and an olefin or a styrene The B.F. GOODRICH Company (US) 1982-03-10 EP disclosed