SCHEMBL27736698

SCHEMBL27736698

CCCCCC(N)(N)C(=O)OCc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ESR1 P03372 1/20 0.39
ALPG P10696 1/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HCAR3 P49019 1/20 0.35
POLB P06746 1/20 0.34
CASP6 P55212 1/20 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
SCHEMBL27736692 0.80 ALDH1A1 (0.41) MAPTLMNAESR1ALDH1A1TDP1
SCHEMBL27716078 0.80 TDP1 (0.55) MAPTLMNAESR1ALDH1A1SMN1; SMN2
SCHEMBL2201250 0.79 MAPT (0.36) MAPTALDH1A1CASP6
SCHEMBL27736695 0.78 PTGS2 (0.36) MAPTLMNAESR1ALDH1A1SMN1; SMN2
SCHEMBL7398999 0.76 ALDH1A1 (0.50) LMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL27715897 0.74 CYP3A4 (0.49) MAPTLMNANPSR1ALDH1A1SMN1; SMN2
SCHEMBL9298930 0.72 ALDH1A1 (0.51) LMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL27736824 0.71 ALDH1A1 (0.40) MAPTLMNAESR1ALDH1A1SMN1; SMN2
SCHEMBL6865422 0.71 MAOB (0.47) LMNANPSR1ALDH1A1SMN1; SMN2
SCHEMBL7599200 0.70 ALDH1A1 (0.49) MAPTALDH1A1

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
CN-101213491-B Photosensitive resin composition and adhesion enhancer TORAY INDUSTRIES 2011-09-14 CN disclosed
CN-101213491-A Photosensitive resin composition and adhesion enhancer TORAY INDUSTRIES (JP) 2008-07-02 CN disclosed