SCHEMBL280474

SCHEMBL280474

COC(=O)/C=C(/CCCC(=O)OC)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.37
OXER1 Q8TDS5 2/20 0.36
TET2 Q6N021 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
EPHX2 P34913 1/20 0.33
ALOX5 P09917 1/20 0.33
HPGD P15428 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
SCHEMBL27627561 0.89 TSHR (0.52) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL9910358 0.89 TSHR (0.52) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL7772114 0.83 CES1 (0.38) TSHRALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL9327902 0.83 CES1 (0.38) TSHRALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL29220173 0.81 POLB (0.42) TSHRALDH1A1MEN1KMT2A
SCHEMBL7949525 0.81 POLB (0.42) TSHRALDH1A1MEN1KMT2A
SCHEMBL10000423 0.80 MGAM (0.41) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL12332891 0.80 MGAM (0.41) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL7772525 0.79 HCAR2 (0.37) TSHRALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL6877098 0.79 HCAR2 (0.37) TSHRALDH1A1KEAP1NFE2L2HCAR2

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 6 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-8192976-B2 Biological synthesis of difunctional alkanes from carbohydrate feedstocks CELEXION, LLC (US) 2012-06-05 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
US-20100151536-A1 Biological Synthesis of Difunctional Alkanes from Carbohydrate Feedstocks CELEXION, LLC 2010-06-17 US disclosed