SCHEMBL9386370

SCHEMBL9386370

OC1(Cl)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.45
▸ ACHE P22303 2/20 0.45
▸ HTR1A P08908 1/20 0.41
▸ NT5E P21589 1/20 0.40
▸ TACR2 P21452 3/20 0.39
▸ PDPK1 O15530 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PTPN1 P18031 6/20 0.38
▸ CDC25B P30305 6/20 0.38
▸ GJB2 P29033 1/20 0.38
▸ PTPN2 P17706 2/20 0.37
▸ PTPN6 P29350 2/20 0.37
▸ PTPN11 Q06124 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PDE4D Q08499 1/20 0.37

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
SCHEMBL8596282 1.00 BCHE (0.45) BCHEACHEHTR1ANT5ETACR2
SCHEMBL7541321 0.96 BCHE (0.44) BCHEACHEHTR1ANT5ETACR2
SCHEMBL7908255 0.96 BCHE (0.44) BCHEACHEHTR1ANT5ETACR2
SCHEMBL7616207 0.96 BCHE (0.44) BCHEACHEHTR1ANT5ETACR2
SCHEMBL7544031 0.96 BCHE (0.44) BCHEACHEHTR1ANT5ETACR2
SCHEMBL7545172 0.96 BCHE (0.44) BCHEACHEHTR1ANT5ETACR2
SCHEMBL6428120 0.96 BCHE (0.44) BCHEACHEHTR1ANT5ETACR2
SCHEMBL6428124 0.96 BCHE (0.44) BCHEACHEHTR1ANT5ETACR2
SCHEMBL7447672 0.86 NT5E (0.45) BCHEACHEHTR1ANT5ETACR2
SCHEMBL11673910 0.84 NT5E (0.43) BCHEACHEHTR1ANT5ETACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6065281-A — — None — — JP disclosed
CN-110615818-B Synthesis method of fludarabine and nelarabine 江西科技师范大学 2023-02-17 — — CN disclosed
CN-110615818-A Synthesis method of fludarabine and nelarabine 江西科技师范大学 2019-12-27 — — CN disclosed
JP-H0665281-A IMPROVEMENT OF PREPARATION OF 2-AMINO(2,3,5-TRI-O-BENZYL-BETA-D-ARABINOFURANOSYL)ADENINE ASH STEVENS INC 1994-03-08 — — JP disclosed
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