SCHEMBL280330

SCHEMBL280330

C=C(/C=C(/CCC(=O)OC)C(=O)OC)OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 5/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
TET2 Q6N021 1/20 0.34
MEN1 O00255 1/20 0.34
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HPGD P15428 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
SCHEMBL9910358 0.81 TSHR (0.52) TSHRALDH1A1LMNAKDM4EKMT2A
SCHEMBL27627561 0.81 TSHR (0.52) TSHRALDH1A1LMNAKDM4EKMT2A
SCHEMBL22474643 0.75 GAA (0.35) TSHRALDH1A1LMNAKMT2AHSD17B10
SCHEMBL11896194 0.75 TSHR (0.54) TSHRALDH1A1LMNAKDM4EKMT2A
Dimethyl Succinate SCHEMBL11848625 0.72 TSHR (0.81) TSHRALDH1A1LMNAKDM4EKMT2A
SCHEMBL4494873 0.71 TSHR (0.62) TSHRALDH1A1LMNAKDM4EKMT2A
SCHEMBL280474 0.70 TSHR (0.56) TSHRALDH1A1LMNAKDM4EKMT2A
Dimethyl Succinate SCHEMBL28185979 0.70 TSHR (0.87) TSHRALDH1A1LMNAKDM4EKMT2A
Dimethyl Succinate SCHEMBL28054469 0.69 TSHR (1.00) TSHRALDH1A1LMNAKDM4EKMT2A
Dimethyl Succinate SCHEMBL10213 0.69 TSHR (1.00) TSHRALDH1A1LMNAKDM4EKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120258504-A1 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL ALKANES FROM CARBOHYDRATE FEEDSTOCKS CELEXION, LLC (US) 2012-10-11 US disclosed
US-20120164702-A1 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL ALKANES FROM CARBOHYDRATE FEEDSTOCKS CELEXION, LLC (US) 2012-06-28 US disclosed
US-8133704-B2 Biological synthesis of difunctional alkanes from carbohydrate feedstocks CELEXION, LLC (US) 2012-03-13 US disclosed
US-20110171696-A1 Biological Synthesis of Difunctional Alkanes from Carbohydrate Feedstocks CELEXION, LLC (US) 2011-07-14 US disclosed