SCHEMBL31205620

SCHEMBL31205620

Cc1ccccc1C(O)C(CO)(CO)CO.OP(O)OP(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 3/20 0.34
GAA P10253 2/20 0.34
ACP3 P15309 1/20 0.33
CYP2D6 P10635 4/20 0.32
CYP3A4 P08684 3/20 0.32
KCNH2 Q12809 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 2/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32

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
SCHEMBL27642505 0.83 ALDH1A1 (0.34) ESR1KDM4EMAPT
SCHEMBL29440730 0.78 CYSLTR2 (0.38) CYP2D6CYP3A4CYP2C9
SCHEMBL30496122 0.77 AOC3 (0.37) KDM4ESLC6A2SLC6A4SLC6A3LMNA
SCHEMBL27548049 0.76 CYSLTR2 (0.44)
SCHEMBL30448250 0.74 GABRA1 (0.40) GAACYP2D6
O-Xylene SCHEMBL27810384 0.73 ACHE (0.56) ESR1CYP1A2CYP3A4HPGD
SCHEMBL27874601 0.72
SCHEMBL9244882 0.72 ESR1 (0.40) ESR1KDM4ECYP1A2SLC6A2SLC6A4
SCHEMBL27660150 0.70 ALDH1A1 (0.41) ESR1KDM4ECYP1A2GAACYP2D6
SCHEMBL17669919 0.70 ESR1 (0.46) ESR1SLC6A2SLC6A4SLC6A3GAA

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
WO-2024225099-A1 POLYCARBONATE RESIN AND OPTICAL MEMBER USING SAID RESIN 帝人株式会社 2024-10-31 WO disclosed