SCHEMBL7984729

SCHEMBL7984729

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 2/20 0.39
CHRNG P07510 2/20 0.39
CHRNB1 P11230 2/20 0.39
CHRNB2 P17787 2/20 0.39
SLC6A2 P23975 2/20 0.39
CHRNB4 P30926 2/20 0.39
SLC6A4 P31645 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CHRND Q07001 2/20 0.39
ALDH1A1 P00352 5/20 0.36
HCAR2 Q8TDS4 3/20 0.35
HCAR3 P49019 2/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL6026477 1.00 CHRNA1 (0.39) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL6927977 0.95 ALDH1A1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL7593441 0.95 ALDH1A1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL7969034 0.95 ALDH1A1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL6926535 0.84 HCAR2 (0.49) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL7965561 0.83 PTGS2 (0.43) ALDH1A1HPGDPTGS2
SCHEMBL6932927 0.81 CHRNA1 (0.42) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL7984718 0.81 CHRNA1 (0.42) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL7983353 0.81 CHRNA1 (0.42) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL6026628 0.80 MEN1 (0.37) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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-6262073-B1 INHIBITING THE ACTION OF A PRO-INFLAMMATORY CYTOKINE OXIS INTERNATIONAL INC. 2001-07-17 US disclosed