SCHEMBL7969034

SCHEMBL7969034

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
PGR P06401 1/20 0.38
PTGS2 P35354 3/20 0.37
CHRNA1 P02708 2/20 0.36
CHRNG P07510 2/20 0.36
CHRNB1 P11230 2/20 0.36
CHRNB2 P17787 2/20 0.36
SLC6A2 P23975 2/20 0.36
CHRNB4 P30926 2/20 0.36
SLC6A4 P31645 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CHRND Q07001 2/20 0.36
EDNRA P25101 1/20 0.36
CYP1A2 P05177 1/20 0.34
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL6927977 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDPGRPTGS2
SCHEMBL7593441 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDPGRPTGS2
SCHEMBL6026477 0.95 CHRNA1 (0.39) ALDH1A1KDM4EHPGDPTGS2CHRNA1
SCHEMBL7984729 0.95 CHRNA1 (0.39) ALDH1A1KDM4EHPGDPTGS2CHRNA1
SCHEMBL7983353 0.87 CHRNA1 (0.42) ALDH1A1KDM4EHPGDPTGS2CHRNA1
SCHEMBL7984718 0.87 CHRNA1 (0.42) ALDH1A1KDM4EHPGDPTGS2CHRNA1
SCHEMBL6932927 0.87 CHRNA1 (0.42) ALDH1A1KDM4EHPGDPTGS2CHRNA1
SCHEMBL6026628 0.86 MEN1 (0.37) ALDH1A1PTGS2CHRNA1CHRNGCHRNB1
SCHEMBL7965561 0.85 PTGS2 (0.43) ALDH1A1HPGDPTGS2SMN1; SMN2
SCHEMBL6934036 0.84 PTGS2 (0.37) ALDH1A1KDM4EPTGS2CHRNA1CHRNG

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