SCHEMBL22810243

SCHEMBL22810243

F[C@@H]1CO[C@H](COCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
SLC6A2 P23975 2/20 0.43
HTR1A P08908 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
SSTR1 P30872 1/20 0.40
SSTR2 P30874 1/20 0.40
SSTR4 P31391 1/20 0.40
SSTR3 P32745 1/20 0.40
SSTR5 P35346 1/20 0.40
GJB2 P29033 2/20 0.40
PDE2A O00408 1/20 0.39
NT5E P21589 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
PDE4D Q08499 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL18666892 1.00 BCHE (0.47) BCHEACHESLC6A2HTR1ATAAR1
SCHEMBL16774604 0.86 GJB2 (0.41) BCHEACHESLC6A2SSTR1SSTR2
SCHEMBL15481846 0.86 GJB2 (0.41) BCHEACHESLC6A2HTR1ASSTR1
SCHEMBL20140085 0.84 BCHE (0.55) BCHEACHESLC6A2HTR1ATAAR1
SCHEMBL22316285 0.84 BCHE (0.55) BCHEACHESLC6A2HTR1ATAAR1
SCHEMBL23225625 0.84 SLC6A2 (0.52) BCHEACHESLC6A2TSHRPDE4D
SCHEMBL18896702 0.84 BCHE (0.55) BCHEACHESLC6A2HTR1ATAAR1
SCHEMBL19380966 0.84 BCHE (0.55) BCHEACHESLC6A2HTR1ATAAR1
SCHEMBL13446337 0.84 BCHE (0.55) BCHEACHESLC6A2HTR1ATAAR1
SCHEMBL18485164 0.84 BCHE (0.55) BCHEACHESLC6A2HTR1ATAAR1

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
EP-3184112-B1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE FUJIFILM CORP (JP) 2020-12-23 EP disclosed