SCHEMBL7701721

SCHEMBL7701721

CC1(C)C2CCC1(C)C(O)([C]=O)C2

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32

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
SCHEMBL609797 0.81 SHBG (0.38)
SCHEMBL609535 0.81 SHBG (0.38)
SCHEMBL9118328 0.81 SHBG (0.38)
SCHEMBL612009 0.81 SHBG (0.38)
SCHEMBL9118331 0.81 SHBG (0.38)
SCHEMBL9114377 0.78 PLA2G1B (0.31) PLA2G1BATG4B
SCHEMBL9119013 0.78 PLA2G1B (0.31) PLA2G1BATG4B
SCHEMBL14398026 0.73 L3MBTL1 (0.33) L3MBTL1PLA2G1BATG4B
SCHEMBL18670445 0.73 L3MBTL1 (0.33) L3MBTL1PLA2G1BATG4B
SCHEMBL50282 0.73 L3MBTL1 (0.33) L3MBTL1PLA2G1BATG4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348616-B1 CHEMICAL INTERMEDIATES FOR SYNTHESIS OF DESIRED BENZOXAZINONES PIERCE MICHAEL ERNEST (US) 2002-02-19 US disclosed
US-6147210-A Practical synthesis of benzoxazinones useful as HIV reverse transcriptase inhibitors DUPONT PHARMACEUTICALS COMPANY (US) 2000-11-14 US disclosed
WO-1998004535-A1 A PRACTICAL SYNTHESIS OF BENZOXAZINONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-02-05 WO disclosed