SCHEMBL27707697

SCHEMBL27707697

C=CC(C)c1cccc(O)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
LMNA P02545 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
TSHR P16473 2/20 0.45
CYP1A2 P05177 2/20 0.45
HIF1A Q16665 2/20 0.45
CYP3A4 P08684 2/20 0.45
FAAH O00519 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2C P28335 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL17533288 0.84 GABRA1 (0.68) HPGDLMNACA1CA2GABRA1
SCHEMBL251366 0.84 GABRA1 (0.68) HPGDLMNACA1CA2GABRA1
SCHEMBL17515123 0.84 GABRA1 (0.68) HPGDLMNACA1CA2GABRA1
SCHEMBL10507496 0.83 GABRA1 (0.58) HPGDLMNACA1CA2GABRA1
SCHEMBL9908787 0.82 ALDH1A1 (0.48) HPGDLMNACA1CA2GABRA1
SCHEMBL7559113 0.80 GABRA1 (0.44) HPGDLMNACA1CA2GABRA1
SCHEMBL11116824 0.79 LMNA (0.46) HPGDLMNACA1CA2GABRA1
SCHEMBL17537144 0.78 TSHR (0.52) HPGDLMNACA1CA2GABRA1
SCHEMBL11789192 0.78 LMNA (0.44) HPGDLMNACA1CA2GABRA1
SCHEMBL30130614 0.77 CA1 (0.38) HPGDLMNACA1CA2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101215227-B Integration method for preparing o-methyl allyloxyphenol UNIV XIANGTAN 2010-06-09 CN disclosed
CN-101215227-A Integration method for preparing o-methyl allyloxyphenol UNIV XIANGTAN (CN) 2008-07-09 CN disclosed