SCHEMBL8997763

SCHEMBL8997763

O=CC[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.39
SLC1A1 P43005 3/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TACR1 P25103 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 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
SCHEMBL8997866 1.00 CA1 (0.43) CA1CA2CA7CA9KMT2A
SCHEMBL16429136 0.86 CA1 (0.43) CA1CA2CA7CA9KMT2A
SCHEMBL9837867 0.86 CA1 (0.43) CA1CA2CA7CA9KMT2A
SCHEMBL31556087 0.82 CA1 (0.46) CA1CA2CA7CA9KMT2A
SCHEMBL22571978 0.81 CA1 (0.54) CA1CA2CA7CA9KMT2A
SCHEMBL1578413 0.81 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL1578411 0.81 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL8997848 0.80 KMT2A (0.40) CA1CA2CA7CA9KMT2A
SCHEMBL8997936 0.79 TDP1 (0.37) CA1CA2CA7CA9KMT2A
SCHEMBL14747305 0.78 CA1 (0.51) CA1CA2CA7CA9KMT2A

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
US-5521163-A TREATMENT OF HERPES VIRUS WITH 1'-DEOXY-5-ETHYL-4'-THIO-BETA URIDINE UNIVERSITY OF BIRMINGHAM (GB) 1996-05-28 US disclosed
US-5356882-A Treating herpes virus UNIVERSITY OF BIRMINGHAM (GB) 1994-10-18 US disclosed
EP-0421777-A1 Further antiviral pyrimidine nucleosides THE UNIVERSITY OF BIRMINGHAM (GB) 1991-04-10 EP disclosed
EP-0409575-A1 Antiviral pyrimidine nucleosides THE UNIVERSITY OF BIRMINGHAM (GB) 1991-01-23 EP disclosed