SCHEMBL6324823

SCHEMBL6324823

O=CCOCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 2/20 0.51
HPGD P15428 1/20 0.47
MAOB P27338 1/20 0.47
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 3/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL77922 0.86 ALDH1A1 (0.62) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL10404273 0.85 ALDH1A1 (0.50) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL8539484 0.82 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL431687 0.81 ALDH1A1 (0.56) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL3937020 0.79 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL7027259 0.79 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL3157228 0.79 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL12086376 0.79 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL3937015 0.79 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL2354939 0.79 ALDH1A1 (0.59) ALDH1A1TSHRHTTHPGDMAOB

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-6899999-B2 Method of manufacturing composite member, photosensitive composition, porous base material, insulating body and composite member KABUSHIKI KAISHA TOSHIBA (JP) 2005-05-31 US disclosed
US-20030022102-A1 Method of manufacturing composite member, photosensitive composition, porous base material, insulating body and composite member KABUSHIKI KAISHA TOSHIBA (JP) 2003-01-30 US disclosed