SCHEMBL24634003

SCHEMBL24634003

CCN1C[C@H](O)C[C@H]1C(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.39
ATM Q13315 1/20 0.37
DPP4 P27487 6/20 0.32
DPP8 Q6V1X1 4/20 0.32
DPP9 Q86TI2 4/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
DPP7 Q9UHL4 1/20 0.30
FAP Q12884 1/20 0.30
GAA P10253 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
SCHEMBL24634014 1.00 PIK3CD (0.39) PIK3CDATMDPP4DPP8DPP9
SCHEMBL8895922 0.79 ATM (0.53) ATMGAA
SCHEMBL5067978 0.79 ATM (0.53) ATMGAA
SCHEMBL21290883 0.79 ATM (0.53) ATMGAA
SCHEMBL20158969 0.78 MAOA (0.40) PIK3CDATMDPP4DPP8DPP9
SCHEMBL9965183 0.78 ATM (0.39) PIK3CDATMCHRNB2CHRNA3CHRNA4
SCHEMBL30148983 0.78 MAOA (0.40) PIK3CDATMDPP4DPP8DPP9
SCHEMBL20158970 0.78 MAOA (0.40) PIK3CDATMDPP4DPP8DPP9
SCHEMBL24312887 0.76 PIK3CD (0.42) PIK3CDATMDPP4DPP8DPP9
SCHEMBL14569611 0.76 PIK3CD (0.42) PIK3CDATMDPP4DPP8DPP9

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
WO-2022234853-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS 中外製薬株式会社 2022-11-10 WO disclosed