SCHEMBL15580652

SCHEMBL15580652

C[C@H](OCc1ccccc1)C(=O)OC(COCc1ccccc1)COCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SLC1A1 P43005 3/20 0.43
CA1 P00915 3/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
KMT2A Q03164 2/20 0.42
TBXAS1 P24557 1/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL28008702 0.83 TSHR (0.54) ALDH1A1SLC1A1KMT2ASLC1A3SLC1A2
SCHEMBL7261708 0.81 KMT2A (0.49) ALDH1A1SLC1A1KMT2ASLC1A3SLC1A2
SCHEMBL23673195 0.81 KMT2A (0.49) ALDH1A1SLC1A1KMT2ASLC1A3SLC1A2
SCHEMBL24374486 0.80 ALDH1A1 (0.47) ALDH1A1SLC1A1KMT2ASLC1A3SLC1A2
SCHEMBL7789021 0.80 ALDH1A1 (0.55) ALDH1A1SLC1A1CA1APOBEC3AAPOBEC3G
SCHEMBL25980247 0.80 ALDH1A1 (0.51) ALDH1A1SLC1A1KMT2ASLC1A3SLC1A2
SCHEMBL14408397 0.79 ALDH1A1 (0.58) ALDH1A1SLC1A1KMT2ASLC1A3SLC1A2
SCHEMBL16673135 0.79 ALDH1A1 (0.58) ALDH1A1SLC1A1KMT2ASLC1A3SLC1A2
SCHEMBL16673248 0.79 MAPT (0.57) ALDH1A1SLC1A1KMT2ASLC1A3SLC1A2
SCHEMBL584760 0.78 ALDH1A1 (0.52) ALDH1A1SLC1A1KMT2ASLC1A3SLC1A2

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-2576534-B1 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2014-03-19 EP disclosed