SCHEMBL7966664

SCHEMBL7966664

C[C@@]1(c2ccc(-c3ccc(F)cc3)cc2)OC(=O)C(O)=C1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.46
HCAR3 P49019 1/20 0.46
PTGS2 P35354 3/20 0.37
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRND Q07001 1/20 0.36
PGR P06401 1/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
HSD11B1 P28845 3/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
ERCC1 P07992 1/20 0.34

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
SCHEMBL7956282 1.00 HCAR2 (0.46) HCAR2HCAR3PTGS2CHRNA1CHRNG
SCHEMBL7030070 1.00 HCAR2 (0.46) HCAR2HCAR3PTGS2CHRNA1CHRNG
SCHEMBL6932927 0.87 CHRNA1 (0.42) HCAR2HCAR3PTGS2CHRNA1CHRNG
SCHEMBL7984718 0.87 CHRNA1 (0.42) HCAR2HCAR3PTGS2CHRNA1CHRNG
SCHEMBL7983353 0.87 CHRNA1 (0.42) HCAR2HCAR3PTGS2CHRNA1CHRNG
SCHEMBL6026628 0.86 MEN1 (0.37) HCAR2HCAR3PTGS2CHRNA1CHRNG
SCHEMBL6934036 0.84 PTGS2 (0.37) HCAR2HCAR3PTGS2CHRNA1CHRNG
SCHEMBL7967039 0.84 PTGS2 (0.37) HCAR2HCAR3PTGS2CHRNA1CHRNG
SCHEMBL7969034 0.84 ALDH1A1 (0.38) HCAR2HCAR3PTGS2CHRNA1CHRNG
SCHEMBL7965515 0.84 PTGS2 (0.37) HCAR2HCAR3PTGS2CHRNA1CHRNG

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-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US claimed