SCHEMBL7566570

SCHEMBL7566570

COC(=O)C1CCC(C)(C)N([O])C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.33
EPHX2 P34913 1/20 0.32
TP53 P04637 1/20 0.32
SRD5A2 P31213 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1433982 0.81 ATM (0.33) ATML3MBTL1CYP1A2CYP2C9TSHR
SCHEMBL7568426 0.81 MAPT (0.39) CYP2C9CYP2C19LMNA
SCHEMBL438903 0.79 SLC1A2 (0.42) L3MBTL1
SCHEMBL12221733 0.73 ATM (0.51) ATML3MBTL1CYP1A2CYP2C9TSHR
SCHEMBL18211321 0.72 ATM (0.46) ATML3MBTL1CYP1A2CYP2C9TSHR
SCHEMBL6663654 0.71 TSHR (0.33) TSHRCYP2C19
SCHEMBL379399 0.69 GAA (0.37) L3MBTL1
SCHEMBL1231230 0.68 GAA (0.47) ATML3MBTL1CYP1A2CYP2C9TSHR
SCHEMBL30318888 0.67 ATM (0.41) ATML3MBTL1CYP1A2CYP2C9TSHR
SCHEMBL30672664 0.67 ATM (0.41) ATML3MBTL1CYP1A2CYP2C9TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233989-A2 INHIBITION OF POLYMERIZATION OF UNSATURATED MONOMERS Crompton Corporation (US) 2002-08-28 EP disclosed
WO-2001040319-A2 INHIBITION OF POLYMERIZATION OF UNSATURATED MONOMERS CROMPTON CORPORATION (US) 2001-06-07 WO disclosed