SCHEMBL747060

SCHEMBL747060

O=C(O)CCC1OC1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF2R P11717 2/20 0.39
LMNA P02545 3/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
SLC6A12 P48065 3/20 0.34
SLC6A11 P48066 3/20 0.34
SLC6A13 Q9NSD5 3/20 0.34
SLC22A6 Q4U2R8 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 2/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32
MAPT P10636 1/20 0.31
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
SELP P16109 1/20 0.30

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
SCHEMBL16120998 0.90 LMNA (0.44) IGF2RLMNAALKBH5SUCNR1EGLN1
SCHEMBL676905 0.84 SLC6A12 (0.38) LMNAALKBH5SUCNR1EGLN1SLC6A12
SCHEMBL28655709 0.84 SLC6A12 (0.38) LMNAALKBH5SUCNR1EGLN1SLC6A12
SCHEMBL10477587 0.82 SLC6A12 (0.36) LMNAALKBH5SUCNR1EGLN1SLC6A12
SCHEMBL9410509 0.81 TSHR (0.46) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL2623087 0.81 CAMK2A (0.40) IGF2RLMNAALKBH5SUCNR1EGLN1
SCHEMBL11576115 0.79 FFAR3 (0.46) SLC22A6TSHRMAPTFFAR3HDAC3
SCHEMBL28821679 0.79 KAT2A (0.38) SLC22A6TSHRMAPTFFAR3HDAC3
SCHEMBL7994854 0.79 FFAR3 (0.40) IGF2RLMNAALKBH5SUCNR1EGLN1
SCHEMBL1252905 0.77

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
WO-2014150384-A1 METHOD OF MANUFACTURE OF OCTANEDIOIC ACID, PRECURSORS, AND DERIVATIVES SEGETIS, INC. (US) 2014-09-25 WO disclosed
EP-2429587-A1 ORGANISMS FOR THE PRODUCTION OF CYCLOHEXANONE Genomatica, Inc. (US) 2012-03-21 EP disclosed
WO-2010132845-A1 ORGANISMS FOR THE PRODUCTION OF CYCLOHEXANONE GENOMATICA, INC. (US) 2010-11-18 WO disclosed