SCHEMBL9910358

SCHEMBL9910358

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
TET2 Q6N021 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
POLB P06746 1/20 0.32

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 1.00 TSHR (0.52) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL280474 0.89 TSHR (0.56) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL27674025 0.84 TSHR (0.52) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL12332891 0.83 MGAM (0.41) TSHRKMT2AMEN1LMNAALDH1A1
SCHEMBL10000423 0.83 MGAM (0.41) TSHRKMT2AMEN1LMNAALDH1A1
SCHEMBL7772525 0.82 HCAR2 (0.37) TSHRALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL6877098 0.82 HCAR2 (0.37) TSHRALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL280330 0.81 TSHR (0.48) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL8844392 0.80 HCAR2 (0.36) TSHRKEAP1NFE2L2HCAR2
SCHEMBL8844401 0.80 HCAR2 (0.36) TSHRKEAP1NFE2L2HCAR2

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