SCHEMBL29993289

SCHEMBL29993289

CCC(O)(CC)C(CO)(C(=O)O)C(=O)O.CCOC(=O)C(CO)(CO)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.40
CYP4A11 Q02928 4/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PKM P14618 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIN1 Q13526 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 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
SCHEMBL371477 0.82 ALDH1A1 (0.35) MEN1KMT2ATHRBTSHRALDH1A1
SCHEMBL371475 0.80 PKM (0.52) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL9819873 0.78 PKM (0.47) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL14493769 0.74 PKM (0.47) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL456197 0.72 MEN1 (0.48) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL371476 0.71 CYP4F2 (0.47) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL13130109 0.70 PKM (0.52) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL5141734 0.70 CYP4F2 (0.41) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL8306724 0.70 MEN1 (0.47) CYP4F2CYP4A11MEN1KMT2APKM
SCHEMBL30440649 0.70 MEN1 (0.47) CYP4F2CYP4A11MEN1KMT2APKM

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-115443284-A Compound, contrast agent, and method for producing compound 学校法人圣玛丽安娜医科大学 2022-12-06 CN disclosed