SCHEMBL5084419

SCHEMBL5084419

COC(=O)CC1(C[N+](=O)[O-])C[C@H](C)[C@@H](C)C1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 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
SCHEMBL5077870 0.86 MGAM (0.34) L3MBTL1
SCHEMBL5690613 0.86 MGAM (0.34) L3MBTL1
SCHEMBL5080768 0.86 MGAM (0.34) L3MBTL1
SCHEMBL25230285 0.83 TP53 (0.34) MAPTL3MBTL1TP53
SCHEMBL17925703 0.81 TP53 (0.33) MAPTL3MBTL1TP53
SCHEMBL25230661 0.81 TP53 (0.33) MAPTL3MBTL1TP53
SCHEMBL5690582 0.81 CYP1A2 (0.42)
SCHEMBL5690578 0.81 CYP1A2 (0.42)
SCHEMBL5690588 0.81 CYP1A2 (0.42)
SCHEMBL6838803 0.80 TSHR (0.34) MAPTL3MBTL1TP53

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-1912936-A2 STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2008-04-23 EP disclosed
WO-2007010387-A2 STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-25 WO disclosed