SCHEMBL14978764

SCHEMBL14978764

C=C(OCCSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(C)COC(=O)OC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 3/20 0.47
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
FAAH O00519 8/20 0.39
MGLL Q99685 8/20 0.39
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA2 P00918 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL847472 0.90 MAPT (0.52) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL10314810 0.81 ALDH1A1 (0.41) MAPTALDH1A1GAAHTTKMT2A
SCHEMBL5330200 0.72 MAPT (0.58) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL832001 0.69 ALDH1A1 (0.71) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL10126435 0.67 MAPT (0.57) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL8973769 0.66 TXNRD1 (0.66) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL9050843 0.66 MAPT (1.00) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL14001552 0.65 TXNRD1 (0.60) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL11571002 0.65 MAPT (0.60) MAPTALDH1A1TXNRD1TXNRD3TXNRD2
SCHEMBL9665036 0.65 MAPT (0.60) MAPTALDH1A1TXNRD1TXNRD3TXNRD2

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-8940855-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-01-27 US disclosed
US-8450505-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-05-28 US disclosed