SCHEMBL29201765

SCHEMBL29201765

O=C(CCN1CCC(CCO)CC1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.47
ACHE P22303 4/20 0.47
EGFR P00533 2/20 0.46
CACNA1F O60840 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
HTR4 Q13639 1/20 0.45
KCNH2 Q12809 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
SCHEMBL29201704 0.90 LTA4H (0.52) BCHEEGFRHTR4
SCHEMBL5149816 0.87 ALDH1A1 (0.47) BCHEACHE
SCHEMBL29201705 0.84 EGFR (0.45) BCHEEGFRHTR4
SCHEMBL11128528 0.81 EGFR (0.58) EGFR
SCHEMBL29201713 0.81 EGFR (0.47) BCHEEGFR
SCHEMBL12869921 0.80 EGFR (0.60) EGFR
SCHEMBL458148 0.79 SMN1; SMN2 (0.68)
SCHEMBL24233699 0.79 KDM4E (0.51) ACHEEGFR
SCHEMBL658800 0.78 LTA4H (0.59) EGFRKCNH2
SCHEMBL7060557 0.78 HTT (0.49) BCHEACHECACNA1FCACNA1DCACNA1S

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