SCHEMBL29201704

SCHEMBL29201704

O=C(CCN1CCC(CO)CC1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
EGFR P00533 2/20 0.47
HTR4 Q13639 2/20 0.46
NOTUM Q6P988 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
BCHE P06276 1/20 0.45

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
SCHEMBL29201765 0.90 BCHE (0.47) EGFRHTR4BCHE
SCHEMBL25221091 0.86 SMN1; SMN2 (0.49) LTA4HALDH1A1MAPK1L3MBTL1NPC1
SCHEMBL29201705 0.86 EGFR (0.45) EGFRHTR4NOTUMBCHE
SCHEMBL11128528 0.83 EGFR (0.58) LTA4HEGFRNOTUMALDH1A1MAPK1
SCHEMBL29201713 0.83 EGFR (0.47) EGFRNOTUMALDH1A1MAPK1L3MBTL1
SCHEMBL6605317 0.82 SIGMAR1 (0.51) LTA4HEGFRNOTUMALDH1A1MAPK1
SCHEMBL12869921 0.82 EGFR (0.60) EGFRNOTUMALDH1A1MAPK1L3MBTL1
SCHEMBL24233699 0.81 KDM4E (0.51) EGFRNOTUMALDH1A1MAPK1L3MBTL1
SCHEMBL658800 0.80 LTA4H (0.59) LTA4HEGFRALDH1A1
SCHEMBL11114975 0.80 ALDH1A1 (0.49) EGFRNOTUMALDH1A1MAPK1L3MBTL1

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