SCHEMBL28573155

SCHEMBL28573155

O=C(O)CC(=O)C(C(=O)O)C(=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.38
SRR Q9GZT4 1/20 0.38
FOLH1 Q04609 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7077910 0.84 LDHA (0.47) LDHASRRFOLH1KDM4ETSHR
SCHEMBL4929248 0.74 ALDH1A1 (0.35) KDM4ETSHRTDP1
SCHEMBL29257746 0.69 LDHA (0.42) LDHASRRKDM4ETDP1
SCHEMBL7126487 0.69 LDHA (0.42) LDHASRR
SCHEMBL27510589 0.67 TSHR (0.30) TSHR
SCHEMBL125701 0.65 LDHA (0.44) LDHASRRTSHRTDP1
SCHEMBL11465675 0.64
SCHEMBL22728604 0.63 LDHA (0.42) LDHASRRTDP1
SCHEMBL21831927 0.63 LDHA (0.42) LDHASRRFOLH1TDP1
SCHEMBL11124915 0.63 LDHA (0.42) LDHASRRFOLH1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106795486-B Coryneform bacterium transformant and method for producing organic compound using same 公益财团法人地球环境产业技术研究机构 2021-06-08 CN disclosed