SCHEMBL12339253

SCHEMBL12339253

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
POLA1 P09884 1/20 0.51
POLG P54098 1/20 0.51
HPRT1 P00492 11/20 0.50
SERPINA3 P01011 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PNP P00491 3/20 0.45
MAPK1 P28482 1/20 0.45
HBB P68871 1/20 0.45

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
SCHEMBL17617329 0.92 POLB (0.53) POLBPOLA1POLGHPRT1MEN1
SCHEMBL17617646 0.92 POLB (0.53) POLBPOLA1POLGHPRT1MEN1
SCHEMBL14621723 0.92 POLB (0.52) POLBPOLA1POLGHPRT1MEN1
SCHEMBL17617327 0.90 POLB (0.51) POLBPOLA1POLGHPRT1MEN1
SCHEMBL17617645 0.90 POLB (0.51) POLBPOLA1POLGHPRT1MEN1
SCHEMBL18665426 0.89 POLB (0.57) POLBPOLA1POLGHPRT1PNP
SCHEMBL20067745 0.87 HPRT1 (0.54) HPRT1
SCHEMBL23346499 0.86 POLB (0.54) POLBPOLA1POLGHPRT1PNP
SCHEMBL12339258 0.84 FGFR1 (0.53) POLA1POLGSERPINA3
SCHEMBL21577310 0.84 FGFR1 (0.53) POLA1POLGSERPINA3

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