SCHEMBL8346597

SCHEMBL8346597

CC(C)(C)OC(=O)NCC1CCC(CO)O1.NCC1CCC(CO)O1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DRD2 P14416 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ACACB O00763 4/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HCRTR2 O43614 1/20 0.34
ACACA Q13085 3/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8123288 0.94 EPHX1 (0.41) EPHX1TDP1DRD2MAOAMAOB
SCHEMBL8117400 0.93 TDP1 (0.42) EPHX1TDP1DRD2ACACBKMT2A
SCHEMBL5963740 0.93 TDP1 (0.42) EPHX1TDP1DRD2ACACBKMT2A
SCHEMBL24517024 0.80 EPHX1 (0.41) EPHX1TDP1DRD2ACACBKMT2A
SCHEMBL25961857 0.80 EPHX1 (0.41) EPHX1TDP1DRD2ACACBKMT2A
SCHEMBL30605383 0.77 EPHX1 (0.43) EPHX1TDP1DRD2ACACBKMT2A
SCHEMBL26966258 0.77 EPHX1 (0.43) EPHX1TDP1DRD2ACACBKMT2A
SCHEMBL30605405 0.77 EPHX1 (0.43) EPHX1TDP1DRD2ACACBKMT2A
SCHEMBL26966421 0.77 EPHX1 (0.43) EPHX1TDP1DRD2ACACBKMT2A
SCHEMBL24517021 0.77 EPHX1 (0.43) EPHX1TDP1DRD2ACACBKMT2A

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
WO-1999022735-A1 SOMATOSTATIN AGONISTS MERCK & CO., INC. (US) 1999-05-14 WO disclosed