SCHEMBL1669148

SCHEMBL1669148

CC(C)(C)[Si](C)(C)OCC(O)COc1cccc(C(=O)N2CCC(c3cccc(CNC(=O)O)c3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
PARP14 Q460N5 2/20 0.41
PARP10 Q53GL7 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
ABCB1 P08183 4/20 0.38
EGLN1 Q9GZT9 2/20 0.38
CHRM4 P08173 1/20 0.38
TPSAB1 Q15661 1/20 0.37

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
SCHEMBL1670829 0.92 POLB (0.41) POLBPARP14PARP10ALDH1A1ABCB1
SCHEMBL13967554 0.90 POLB (0.45) POLBPARP14PARP10ALDH1A1KDM4E
SCHEMBL1668846 0.86 PARP14 (0.46) POLBPARP14PARP10ALDH1A1KDM4E
SCHEMBL1668831 0.81 PARP14 (0.40) POLBPARP14PARP10ALDH1A1KDM4E
SCHEMBL1671063 0.80 NAMPT (0.39) PARP14PARP10ALDH1A1KDM4ELMNA
SCHEMBL1668681 0.78 MGLL (0.48) PARP14PARP10ALDH1A1KDM4ELMNA
SCHEMBL13967555 0.77 PARP14 (0.42) PARP14PARP10ALDH1A1KDM4ELMNA
SCHEMBL13967549 0.76 PARP14 (0.46) POLBPARP14PARP10ALDH1A1KDM4E
SCHEMBL15788505 0.76 PARP14 (0.41) PARP14PARP10ALDH1A1KDM4ELMNA
SCHEMBL1668933 0.75 PARP14 (0.44) PARP14PARP10ALDH1A1KDM4ELMNA

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
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed