SCHEMBL26136642

SCHEMBL26136642

C[C@]1(COCc2ccccc2)OC(O)[C@H](O)[C@@H]1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
PDE4D Q08499 3/20 0.38
IDO1 P14902 1/20 0.38
GRM2 Q14416 1/20 0.37
GRM3 Q14832 1/20 0.37
TACR1 P25103 1/20 0.37
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
GBA1 P04062 2/20 0.35
UGCG Q16739 2/20 0.35
GBA2 Q9HCG7 2/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 1/20 0.35
HTR2C P28335 1/20 0.35
GYPA P02724 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDPK1 O15530 1/20 0.33
MTOR P42345 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
SCHEMBL26135449 1.00 TSHR (0.38) TSHRPDE4DIDO1GRM2GRM3
SCHEMBL6872623 0.88 BCHE (0.39) TSHRPDE4DIDO1GRM2GRM3
SCHEMBL6872618 0.88 BCHE (0.39) TSHRPDE4DIDO1GRM2GRM3
SCHEMBL8718248 0.88 BCHE (0.39) TSHRPDE4DIDO1GRM2GRM3
SCHEMBL8718253 0.88 BCHE (0.39) TSHRPDE4DIDO1GRM2GRM3
SCHEMBL31693538 0.88 BCHE (0.39) TSHRPDE4DIDO1GRM2GRM3
SCHEMBL6834977 0.85 BCHE (0.37) TSHRPDE4DIDO1GRM2GRM3
SCHEMBL6834980 0.85 BCHE (0.37) TSHRPDE4DIDO1GRM2GRM3
SCHEMBL26135760 0.80 GRM2 (0.35) TSHRPDE4DIDO1GRM2GRM3
SCHEMBL26135072 0.79 GRM2 (0.34) TSHRPDE4DIDO1GRM2GRM3

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
WO-2023192499-A1 NUCLEOSIDES FOR TREATING CANCER PRIMEFOUR THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
WO-2023192491-A2 NUCLEOSIDE LINE-1 INHIBITORS TRANSPOSON THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed