SCHEMBL8931393

SCHEMBL8931393

Oc1ccc(CC(O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.62
SLC6A2 P23975 1/20 0.62
ESR1 P03372 11/20 0.54
ESR2 Q92731 11/20 0.54
SLC7A5 Q01650 1/20 0.50
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
ABAT P80404 1/20 0.48
CA2 P00918 1/20 0.46

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
SCHEMBL2375800 0.88 TAAR1 (0.46) TAAR1SLC6A2ESR1ESR2
SCHEMBL15928032 0.83 TAAR1 (0.56) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL7166607 0.83 TAAR1 (0.56) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL450874 0.83 TAAR1 (0.56) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL14998954 0.80 TAAR1 (0.58) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL4692343 0.79 TAAR1 (0.64) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL21357615 0.79 TAAR1 (0.64) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL21632218 0.79 TAAR1 (0.64) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL5818107 0.79 ESR1 (0.61) TAAR1SLC6A2ESR1ESR2MEN1
SCHEMBL1048764 0.79 TAAR1 (0.64) TAAR1SLC6A2ESR1ESR2SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9136850-A None JP disclosed
CN-109072037-B Two-pack curable urethane adhesive composition 横滨橡胶株式会社 2021-07-27 CN disclosed
CN-107075338-B Two-pack polyurethane adhesive composition 横滨橡胶株式会社 2020-11-27 CN disclosed
CN-107614647-B Two-pack type curable polyurethane adhesive composition 横滨橡胶株式会社 2020-11-03 CN disclosed
CN-106458847-A Novel diamine synthesis and liquid crystal aligning agent using the same 东进世美肯株式会社 2017-02-22 CN disclosed
CN-106414393-A Diamine compound for liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element 东进世美肯株式会社 2017-02-15 CN disclosed
JP-H09136850-A PRODUCTION OF TRIPHENOL-BASED COMPOUND SUMITOMO CHEM CO LTD 1997-05-27 JP disclosed