SCHEMBL31336576

SCHEMBL31336576

COC(=O)[C@H]1C[C@@H](NC(C)=O)C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.42
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MMP2 P08253 1/20 0.31
ANPEP P15144 1/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL17219887 0.81 SMN1; SMN2 (0.33) ATMALDH1A1KDM4E
SCHEMBL962999 0.81 SMN1; SMN2 (0.33) ATMALDH1A1KDM4E
SCHEMBL966231 0.81 SMN1; SMN2 (0.33) ATMALDH1A1KDM4E
SCHEMBL12500686 0.79 PSEN1 (0.34) ATMALDH1A1KDM4E
SCHEMBL20599734 0.78 BTK (0.40) ATM
SCHEMBL25573963 0.78 BTK (0.40) ATM
SCHEMBL12500648 0.78 ALDH1A1 (0.40) ATML3MBTL1ALDH1A1KDM4ETSHR
SCHEMBL13896056 0.75 ATM (0.45) ATMCYP1A2CYP2C19L3MBTL1CHRNB2
SCHEMBL25544492 0.74 ATM (0.47) ATMCYP1A2CYP2C19L3MBTL1CHRNB2
SCHEMBL25554214 0.74 ATM (0.47) ATMCYP1A2CYP2C19L3MBTL1CHRNB2

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-113302184-B 1,3, 4-Oxadiazolinone compounds and medicaments 日本新药株式会社 2024-11-22 CN disclosed