SCHEMBL11025399

SCHEMBL11025399

C=C(CCCCc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP2C19 P33261 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.47
KCNJ1 P48048 2/20 0.46
FAAH O00519 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
KCNH2 Q12809 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX1 P07099 1/20 0.43
DAGLA Q9Y4D2 2/20 0.43

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
SCHEMBL11025484 0.95 TSHR (0.53) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL1628272 0.89 TSHR (0.56) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL1527806 0.84 MAPT (0.58) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL1400171 0.83 MAPT (0.61) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL153580 0.83 MAPT (0.61) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL2944805 0.83 MAPT (0.61) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL2945405 0.83 MAPT (0.61) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL153108 0.83 MAPT (0.61) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL154515 0.83 MAPT (0.61) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL2952790 0.83 MAPT (0.61) TSHRKMT2AMEN1MAPTALDH1A1

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
EP-0067954-B1 ORGANIC PHOTOCONDUCTIVE COMPOSITIONS FOR ELECTROPHOTOGRAPHY KABUSHIKI KAISHA TOSHIBA (JP) 1985-08-28 EP claimed