SCHEMBL9775501

SCHEMBL9775501

C=C(C)C(=O)OC(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
CYP1A2 P05177 3/20 0.46
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 2/20 0.40
NFKB1 P19838 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CASR P41180 1/20 0.37
POLB P06746 2/20 0.37
HTT P42858 1/20 0.37
MAOB P27338 1/20 0.36
THRB P10828 1/20 0.36
CYP2C19 P33261 2/20 0.36

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
SCHEMBL11025518 0.88 TSHR (0.42) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL5583400 0.85 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL11029069 0.84 ALDH1A1 (0.40) ALDH1A1TSHRNPSR1MAPTSMN1; SMN2
SCHEMBL12395566 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL11026161 0.82 ALDH1A1 (0.45) ALDH1A1CYP1A2TSHRMAPTSMN1; SMN2
SCHEMBL11025538 0.82 ALDH1A1 (0.48) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL11023130 0.82 ALDH1A1 (0.42) ALDH1A1CYP1A2TSHRMAPTSMN1; SMN2
SCHEMBL27889264 0.82 ALDH1A1 (0.56) ALDH1A1CYP1A2TSHRNPSR1MAPT
SCHEMBL11028004 0.81 ALDH1A1 (0.38) ALDH1A1NPSR1MAPTSMN1; SMN2TDP1
SCHEMBL13347474 0.81 ALDH1A1 (0.59) ALDH1A1CYP1A2TSHRNPSR1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5064746-A RADIATION-SENSITIVE MIXTURE FOR PHOTOSENSITIVE COATING MATERIALS AND THE PRODUCTION OF RELIEF PATTERNS AND RELIEF IMAGES BASF AKTIENGESELLSCHAFT (DE) 1991-11-12 US disclosed
US-4822866-A PLASMA RESISTANT PHOTORESISTS; REMOVABLE WITH WEAK ALKALINE SOLUTIONS BASF AKTIENGESELLSCHAFT (DE) 1989-04-18 US disclosed
US-4812542-A PHOTORESISTS, LIGHT-SENSITIVE COATINGS BASF AKTIENGESELLSCHAFT (DE) 1989-03-14 US disclosed
US-4808682-A BLEND WITH OLEFINICALLY UNSATURATED SILICON COMPOUND BASF AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed
EP-0067954-B1 ORGANIC PHOTOCONDUCTIVE COMPOSITIONS FOR ELECTROPHOTOGRAPHY KABUSHIKI KAISHA TOSHIBA (JP) 1985-08-28 EP disclosed
EP-0067954-A2 Organic photoconductive compositions for electrophotography KABUSHIKI KAISHA TOSHIBA (JP) 1982-12-29 EP disclosed