SCHEMBL9508856

SCHEMBL9508856

O=C(CCCCCCCC(=O)OCc1ccccc1[N+](=O)[O-])OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
ALDH1A1 P00352 7/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.47
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
APP P05067 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL4532746 0.94 MAOB (0.46) MAOBALDH1A1HTTTSHRBCHE
SCHEMBL4531780 0.94 MAOB (0.49) MAOBALDH1A1HTTTSHRBCHE
SCHEMBL4074486 0.94 MAOB (0.46) MAOBALDH1A1HTTTSHRBCHE
SCHEMBL8740865 0.93 ALDH1A1 (0.50) MAOBALDH1A1HTTBCHEACHE
SCHEMBL10400395 0.93 ALDH1A1 (0.50) MAOBALDH1A1HTTBCHEACHE
SCHEMBL10926288 0.93 ALDH1A1 (0.50) MAOBALDH1A1HTTBCHEACHE
SCHEMBL1053907 0.93 MAOB (0.45) MAOBALDH1A1HTTTSHRBCHE
SCHEMBL10400327 0.93 ALDH1A1 (0.50) MAOBALDH1A1HTTBCHEACHE
SCHEMBL3612598 0.93 MAOB (0.45) MAOBALDH1A1HTTTSHRBCHE
SCHEMBL10400145 0.93 ALDH1A1 (0.50) MAOBALDH1A1HTTBCHEACHE

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
EP-0232972-B1 NEGATIVE PHOTORESIST COMPOSITIONS AND PROCESSES FOR PREPARING THERMALLY STABLE, NEGATIVE IMAGES USING THEM ROHM AND HAAS COMPANY (US) 1993-09-08 EP disclosed
EP-0232972-A2 Negative photoresist compositions and processes for preparing thermally stable, negative images using them ROHM AND HAAS COMPANY (US) 1987-08-19 EP disclosed