SCHEMBL29201705

SCHEMBL29201705

O=CCC1CCN(CCC(=O)OCc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.45
HTR4 Q13639 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NOTUM Q6P988 1/20 0.43
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
BCHE P06276 1/20 0.42

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
SCHEMBL29201704 0.86 LTA4H (0.52) EGFRHTR4NOTUMBCHE
SCHEMBL29201713 0.85 EGFR (0.47) EGFRNOTUMCHRM1SLC6A2HRH2
SCHEMBL29201765 0.84 BCHE (0.47) EGFRHTR4BCHE
SCHEMBL11128528 0.80 EGFR (0.58) EGFRKMT2ANOTUMCHRM1SLC6A2
SCHEMBL1069985 0.80 SMN1; SMN2 (0.67) MEN1KMT2A
SCHEMBL12869921 0.79 EGFR (0.60) EGFRKMT2ANOTUMSIGMAR1HRH3
SCHEMBL24233699 0.78 KDM4E (0.51) EGFRNOTUMCHRM1SLC6A2HRH2
SCHEMBL658800 0.77 LTA4H (0.59) EGFRMEN1KMT2ASIGMAR1
SCHEMBL6605317 0.77 SIGMAR1 (0.51) EGFRNOTUMCHRM1SLC6A2HRH2
SCHEMBL11114975 0.77 ALDH1A1 (0.49) EGFRMEN1KMT2ANOTUMCHRM1

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-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 CN disclosed