SCHEMBL22552837

SCHEMBL22552837

C=C(C)C(=O)OCc1cccc(COC(=O)C(=C)C)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.38
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 2/20 0.36
GLO1 Q04760 1/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 3/20 0.35
KMT2A Q03164 4/20 0.34
MAOA P21397 2/20 0.34
HTT P42858 2/20 0.34
APEX1 P27695 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPD P32754 1/20 0.33
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL11025870 0.92 MAOB (0.46) MAOBALDH1A1TDP1TSHRKMT2A
SCHEMBL11026177 0.84 MAOB (0.36) MAOBALDH1A1TDP1TSHRPOLB
SCHEMBL17253265 0.84 ALDH1A1 (0.46) MAOBALDH1A1TDP1HPGDTSHR
SCHEMBL719824 0.84 MAOB (0.56) MAOBALDH1A1HPGDTSHRPOLB
SCHEMBL10531812 0.81 MAOB (0.37) MAOBALDH1A1TDP1TSHRPOLB
SCHEMBL29577269 0.80 TSHR (0.44) MAOBALDH1A1TDP1TSHRPOLB
SCHEMBL4202389 0.80 TSHR (0.44) MAOBALDH1A1TDP1TSHRPOLB
SCHEMBL11025770 0.79 MAOB (0.41) MAOBALDH1A1TDP1TSHRHTT
SCHEMBL11025521 0.78 MAOB (0.41) MAOBALDH1A1TDP1TSHRPOLB
SCHEMBL24851406 0.77 THRB (0.40) MAOBALDH1A1TDP1HPGDTSHR

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-10982121-B2 Zwitterionic crosslinked polymer-based adhesives The Florida State University Research Foundation, Inc. (US) 2021-04-20 US disclosed
US-20200332161-A1 ZWITTERIONIC CROSSLINKED POLYMER-BASED ADHESIVES The Florida State University Research Foundation, Inc. 2020-10-22 US disclosed