SCHEMBL12339247

SCHEMBL12339247

CC(C)OC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(N(C)C)nc(N)nc21)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SERPINA3 P01011 1/20 0.48
BTN3A1 O00481 9/20 0.42
POLB P06746 4/20 0.38
ADCY2 Q08462 1/20 0.35
SLC22A6 Q4U2R8 2/20 0.34
FGFR1 P11362 1/20 0.34
POLA1 P09884 2/20 0.34
POLG P54098 2/20 0.34
ABCB11 O95342 1/20 0.34
FAP Q12884 1/20 0.34
HPRT1 P00492 1/20 0.33

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
SCHEMBL2607065 0.87 SERPINA3 (0.46) SERPINA3BTN3A1POLBADCY2SLC22A6
SCHEMBL12339260 0.87 SERPINA3 (0.48) SERPINA3BTN3A1POLBADCY2SLC22A6
SCHEMBL12339226 0.85 POLB (0.57) SERPINA3BTN3A1POLBADCY2
SCHEMBL12339261 0.85 SERPINA3 (0.44) SERPINA3BTN3A1POLBADCY2
SCHEMBL12339253 0.84 POLB (0.53) SERPINA3POLBPOLA1POLGHPRT1
SCHEMBL21577310 0.84 FGFR1 (0.53) SERPINA3BTN3A1ADCY2SLC22A6FGFR1
SCHEMBL12339258 0.84 FGFR1 (0.53) SERPINA3BTN3A1ADCY2SLC22A6FGFR1
SCHEMBL19370539 0.84 FGFR1 (0.53) SERPINA3BTN3A1ADCY2SLC22A6FGFR1
SCHEMBL2734837 0.81 POLB (0.49) SERPINA3POLBSLC22A6FGFR1POLA1
SCHEMBL2606867 0.81 BTN3A1 (0.42) SERPINA3BTN3A1POLBSLC22A6FGFR1

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
US-8268802-B2 Anti-proliferative compounds, compositions, and methods of use thereof GILEAD SCIENCES, INC. (US) 2012-09-18 US disclosed