SCHEMBL30100604

SCHEMBL30100604

CCOC(=O)C(C=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
KDM4E B2RXH2 2/20 0.51
F2 P00734 2/20 0.48
F10 P00742 2/20 0.48
PRSS1 P07477 2/20 0.48
F7 P08709 2/20 0.48
PRSS2 P07478 1/20 0.48
F3 P13726 1/20 0.48
PRSS3 P35030 1/20 0.48
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL6367148 0.94 HPGD (0.54) LMNAKDM4EF2F10PRSS1
SCHEMBL30100613 0.91 KDM4E (0.45) LMNAKDM4EF2F10PRSS1
SCHEMBL30100618 0.89 SMPD1 (0.48) LMNAKDM4EF2F10PRSS1
SCHEMBL27085659 0.86 KDM4E (0.48) LMNAKDM4EF2F10PRSS1
SCHEMBL30100605 0.86 KDM4E (0.44) LMNAKDM4EF2F10PRSS1
SCHEMBL6246976 0.81 HPGD (0.55) KDM4EF2F10PRSS1F7
SCHEMBL31161055 0.80 LMNA (0.47) LMNAKDM4EF2F10PRSS1
SCHEMBL18857785 0.80 LMNA (0.50) LMNAKDM4EF2F10PRSS1
Oxalic Acid SCHEMBL10364707 0.78 KDM4E (0.48) LMNAKDM4EF2F10PRSS1
SCHEMBL6372129 0.78 CA12 (0.49) LMNAALDH1A1SMN1; SMN2POLBMAPT

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-110099893-B Preparation method of droxidopa and intermediate thereof 广东东阳光药业有限公司 2022-09-27 CN disclosed