SCHEMBL9119013

SCHEMBL9119013

CC1(C)[C@H]2CC[C@]1(C)[C@@](O)(C#CI)C2

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
SLC6A1 P30531 1/20 0.31
SLC6A12 P48065 1/20 0.31
SLC6A11 P48066 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
SCHEMBL9114377 1.00 PLA2G1B (0.31) PLA2G1BATG4BSLC6A1SLC6A12SLC6A11
SCHEMBL7701721 0.78 L3MBTL1 (0.33) PLA2G1BATG4B
SCHEMBL9118328 0.78 SHBG (0.38)
SCHEMBL609797 0.78 SHBG (0.38)
SCHEMBL612009 0.78 SHBG (0.38)
SCHEMBL9118331 0.78 SHBG (0.38)
SCHEMBL609535 0.78 SHBG (0.38)
SCHEMBL17220892 0.77 GRM5 (0.40) PLA2G1BATG4BSLC6A1SLC6A12SLC6A11
SCHEMBL50282 0.70 L3MBTL1 (0.33) PLA2G1BATG4BSLC6A1SLC6A12SLC6A11
SCHEMBL18670445 0.70 L3MBTL1 (0.33) PLA2G1BATG4BSLC6A1SLC6A12SLC6A11

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
US-5446203-A Synthesis of haloenones and aryl or alkyl substituted enones or alkenes NEW YORK UNIVERSITY (US) 1995-08-29 US disclosed