SCHEMBL2606916

SCHEMBL2606916

CCOC(=O)[C@H](Cc1ccccc1)NP(=O)(COCCn1cnc2c(OC)nc(N)nc21)N[C@@H](Cc1ccccc1)C(=O)COC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINA3 P01011 1/20 0.47
ADCY2 Q08462 1/20 0.41
HPRT1 P00492 1/20 0.39
POLB P06746 3/20 0.39
MGMT P16455 1/20 0.38
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
TMIGD3 P0DMS9 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CDK1 P06493 1/20 0.33
P2RY12 Q9H244 1/20 0.32
SLC22A6 Q4U2R8 2/20 0.32
FGFR1 P11362 1/20 0.32
ABCB11 O95342 1/20 0.32
POLA1 P09884 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
SCHEMBL2606973 0.95 SERPINA3 (0.51) SERPINA3ADCY2HPRT1POLBMGMT
SCHEMBL2607250 0.89 SERPINA3 (0.45) SERPINA3ADCY2HPRT1POLBMGMT
SCHEMBL2607075 0.89 SERPINA3 (0.49) SERPINA3ADCY2HPRT1POLBMGMT
SCHEMBL2606931 0.89 SERPINA3 (0.50) SERPINA3ADCY2HPRT1POLBMGMT
SCHEMBL2734834 0.84 POLB (0.58) SERPINA3ADCY2HPRT1POLBHDAC1
SCHEMBL2606933 0.83 SERPINA3 (0.49) SERPINA3ADCY2HPRT1POLBMGMT
SCHEMBL2606986 0.83 SERPINA3 (0.51) SERPINA3ADCY2HPRT1POLBMGMT
SCHEMBL2734869 0.82 SERPINA3 (0.48) SERPINA3ADCY2HPRT1POLBHDAC1
SCHEMBL14621490 0.82 SERPINA3 (0.48) SERPINA3ADCY2HPRT1POLBHDAC1
SCHEMBL2606972 0.81 POLB (0.45) SERPINA3HPRT1POLBHDAC1HDAC2

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
US-8163718-B2 Nucleoside analogues containing phosphonate or phosphonamide groups GILEAD SCIENCES, INC. (US) 2012-04-24 US disclosed
US-8163718-B2 Nucleoside analogues containing phosphonate or phosphonamide groups GILEAD SCIENCES, INC. (US) 2012-04-24 US disclosed