SCHEMBL31055010

SCHEMBL31055010

COc1cc(O)c(C)c(O)c1C(C)=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.77
MAPK1 P28482 2/20 0.56
USP2 O75604 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HTT P42858 1/20 0.52
FASN P49327 1/20 0.51
LMNA P02545 1/20 0.48
IDO1 P14902 2/20 0.44
SLC37A4 O43826 1/20 0.44
PTGS2 P35354 1/20 0.42
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
PKM P14618 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL28132534 1.00 CYP3A4 (0.77) CYP3A4MAPK1USP2SMN1; SMN2HTT
SCHEMBL13601793 0.87 CYP3A4 (1.00) CYP3A4MAPK1USP2SMN1; SMN2HTT
SCHEMBL9752687 0.85 CYP3A4 (0.65) CYP3A4MAPK1USP2SMN1; SMN2HTT
SCHEMBL9752762 0.82 CYP3A4 (0.78) CYP3A4MAPK1USP2SMN1; SMN2HTT
SCHEMBL13136824 0.81 CYP3A4 (0.51) CYP3A4MAPK1USP2SMN1; SMN2HTT
SCHEMBL24106158 0.80 CYP3A4 (0.59) CYP3A4MAPK1USP2SMN1; SMN2HTT
SCHEMBL20344419 0.79 CYP3A4 (0.57) CYP3A4MAPK1USP2SMN1; SMN2HTT
SCHEMBL684391 0.76 CYP3A4 (0.64) CYP3A4MAPK1USP2SMN1; SMN2HTT
SCHEMBL30977128 0.76 CYP3A4 (0.59) CYP3A4MAPK1USP2SMN1; SMN2HTT
SCHEMBL3660100 0.76 CYP3A4 (0.63) CYP3A4MAPK1USP2SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118726984-A Low-temperature dew point neutralization corrosion inhibitor and preparation method thereof 江苏创新石化有限公司 2024-10-01 CN claimed
CN-118726984-B Low-temperature dew point neutralization corrosion inhibitor and preparation method thereof 江苏创新石化有限公司 2024-12-24 CN disclosed
CN-118726984-A Low-temperature dew point neutralization corrosion inhibitor and preparation method thereof 江苏创新石化有限公司 2024-10-01 CN disclosed
CN-118726984-A Low-temperature dew point neutralization corrosion inhibitor and preparation method thereof 江苏创新石化有限公司 2024-10-01 CN disclosed