SCHEMBL9602217

SCHEMBL9602217

CC(=O)OC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)C[C@@H]1OC(C)=O

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.72
ABL1 P00519 1/20 0.55
RIN1 Q13671 1/20 0.55
P2RY6 Q15077 3/20 0.49
P2RY14 Q15391 2/20 0.49
NT5E P21589 2/20 0.49
RNASE1 P07998 1/20 0.40
TRIP13 Q15645 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
P2RY12 Q9H244 1/20 0.36
UPP1 Q16831 1/20 0.36
LMNA P02545 1/20 0.35
P2RY2 P41231 1/20 0.35
P2RY4 P51582 1/20 0.35

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
SCHEMBL14429248 0.93 POLB (0.65) POLBABL1RIN1P2RY6P2RY14
SCHEMBL14429203 0.93 POLB (0.65) POLBABL1RIN1P2RY6P2RY14
SCHEMBL14429237 0.93 POLB (0.65) POLBABL1RIN1P2RY6P2RY14
SCHEMBL23211670 0.91 POLB (0.86) POLBABL1RIN1P2RY6P2RY14
SCHEMBL23211669 0.91 POLB (0.86) POLBABL1RIN1P2RY6P2RY14
SCHEMBL5180666 0.88 POLB (0.67) POLBABL1RIN1P2RY6P2RY14
SCHEMBL2582769 0.86 POLB (0.52) POLBABL1RIN1P2RY6NT5E
SCHEMBL14429302 0.85 POLB (0.56) POLBABL1RIN1P2RY6P2RY14
SCHEMBL14429301 0.85 POLB (0.56) POLBABL1RIN1P2RY6P2RY14
SCHEMBL2577572 0.84 POLB (0.55) POLBABL1RIN1P2RY6P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355135-B1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1993-08-04 EP disclosed
US-4997926-A Viricides SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1991-03-05 US disclosed
EP-0355135-A1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1990-02-28 EP disclosed