SCHEMBL258024

SCHEMBL258024

COB(O)c1ccc(Oc2cccc(OC(C)C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.44
MCL1 Q07820 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
F2 P00734 2/20 0.41
F10 P00742 2/20 0.41
FURIN P09958 1/20 0.41
ACACB O00763 2/20 0.40
MTNR1A P48039 2/20 0.40
PTGS1 P23219 1/20 0.40
PGR P06401 1/20 0.40
BCL2 P10415 1/20 0.39
MDM2 Q00987 1/20 0.39
ACACA Q13085 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MITF O75030 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL257607 0.86 CA1 (0.58) MTNR1BMCL1CA1CA2SMN1; SMN2
SCHEMBL22960754 0.83 ENPP2 (0.49) CA2SMN1; SMN2F2ALDH1A1MEN1
SCHEMBL22212886 0.79 CA1 (0.64) CA1CA2SMN1; SMN2ALDH1A1MEN1
SCHEMBL12260871 0.74 ALDH1A1 (0.46) MTNR1BMCL1SMN1; SMN2F2F10
SCHEMBL13064410 0.74 PPARG (0.49) MTNR1BSMN1; SMN2ACACBPTGS1ACACA
SCHEMBL10269955 0.74 MTNR1B (0.43) MTNR1BMCL1SMN1; SMN2F2F10
SCHEMBL2968363 0.73 RXRA (0.53) CA2SMN1; SMN2ALDH1A1MEN1GAA
Acetic Acid SCHEMBL4630472 0.72 ALDH1A1 (0.61) MTNR1BMCL1SMN1; SMN2ACACBMTNR1A
SCHEMBL257918 0.71 ENPP2 (0.65) MTNR1BCA1CA2SMN1; SMN2MTNR1A
SCHEMBL12663183 0.71 ENPP2 (0.68) MTNR1BCA1CA2SMN1; SMN2MTNR1A

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
EP-2399585-A1 Boronic acids and esters as inhibitors of fatty acid amide hydrolase Infinity Pharmaceuticals, Inc. (US) 2011-12-28 EP disclosed
EP-2399584-A1 Boronic acids and esters as inhibitors of fatty acid amide hydrolase Infinity Pharmaceuticals, Inc. (US) 2011-12-28 EP disclosed