SCHEMBL2607250

SCHEMBL2607250

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SERPINA3 P01011 1/20 0.45
HDAC1 Q13547 3/20 0.40
ADCY2 Q08462 1/20 0.38
POLB P06746 2/20 0.37
MGMT P16455 1/20 0.37
FGFR1 P11362 2/20 0.33
HPRT1 P00492 1/20 0.33
TMIGD3 P0DMS9 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CTSL P07711 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
CYP2C19 P33261 1/20 0.32
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL2607075 0.95 SERPINA3 (0.49) SERPINA3HDAC1ADCY2POLBMGMT
SCHEMBL2606933 0.90 SERPINA3 (0.49) SERPINA3HDAC1ADCY2POLBMGMT
SCHEMBL2606916 0.89 SERPINA3 (0.47) SERPINA3HDAC1ADCY2POLBMGMT
SCHEMBL2606973 0.88 SERPINA3 (0.51) SERPINA3HDAC1ADCY2POLBMGMT
SCHEMBL2606931 0.85 SERPINA3 (0.50) SERPINA3HDAC1ADCY2POLBMGMT
SCHEMBL13746593 0.84 SERPINA3 (0.45) SERPINA3HDAC1MGMTTMIGD3ADORA2A
SCHEMBL2734833 0.84 POLB (0.56) SERPINA3HDAC1ADCY2POLBFGFR1
SCHEMBL2606986 0.83 SERPINA3 (0.51) SERPINA3HDAC1ADCY2POLBMGMT
SCHEMBL14621983 0.82 SERPINA3 (0.46) SERPINA3HDAC1ADCY2POLBHPRT1
SCHEMBL2734868 0.82 SERPINA3 (0.46) SERPINA3HDAC1ADCY2POLBHPRT1

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