SCHEMBL16774604

SCHEMBL16774604

Cc1ccc(COC[C@H]2OC[C@H](F)[C@@H]2OCc2ccc(C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 4/20 0.41
GJA1 P17302 3/20 0.41
TACR1 P25103 2/20 0.34
NAAA Q02083 2/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
AGXT P21549 2/20 0.33
KCNH2 Q12809 1/20 0.33
TACR2 P21452 1/20 0.32
SLC6A2 P23975 1/20 0.32
SSTR1 P30872 1/20 0.32
SSTR2 P30874 1/20 0.32
SSTR4 P31391 1/20 0.32
SSTR3 P32745 1/20 0.32
SSTR5 P35346 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
SCHEMBL22810276 0.87 GJB2 (0.43) GJB2GJA1TACR1NAAAAGXT
SCHEMBL15481846 0.86 GJB2 (0.41) GJB2GJA1TACR1BCHEACHE
SCHEMBL18666892 0.86 BCHE (0.47) GJB2BCHEACHESLC6A2SSTR1
SCHEMBL22810243 0.86 BCHE (0.47) GJB2BCHEACHESLC6A2SSTR1
SCHEMBL21754810 0.76 GJB2 (0.43) GJB2GJA1AGXTKCNH2TACR2
SCHEMBL15481960 0.75 GJB2 (0.42) GJB2GJA1KCNH2TACR2SSTR1
SCHEMBL15481954 0.75 GJA1 (0.45) GJB2GJA1TACR2
SCHEMBL16756780 0.75 GJB2 (0.47) GJB2GJA1TACR2
SCHEMBL15481973 0.74 GJA1 (0.37) GJB2GJA1TACR1NAAABCHE
SCHEMBL15481946 0.74 GJB2 (0.46) GJB2GJA1TACR2SSTR1SSTR2

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
EP-3184112-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-SS-D-ARABINOFURANOSYL)CYTOSINE Fujifilm Corporation (JP) 2017-06-28 EP disclosed
EP-2883866-A1 INTERMEDIATE FOR SYNTHESIS OF 1-(2-DEOXY-2-FLUORO-4-THIO-beta-D-ARABINOFURANOSYL) CYTOSINE, INTERMEDIATE FOR SYNTHESIS OF THIONUCLEOSIDE, AND METHODS FOR PRODUCING THESE INTERMEDIATES FUJIFILM Corporation (JP) 2015-06-17 EP disclosed