SCHEMBL9178803

SCHEMBL9178803

CC(C)(CCC(C)(C)OC(=O)Oc1ccccc1[N+](=O)[O-])OC(=O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
KCNH2 Q12809 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL57736 0.81 ALDH1A1 (0.60) ALDH1A1HTTTDP1KMT2AL3MBTL1
SCHEMBL29911025 0.81 ALDH1A1 (0.60) ALDH1A1HTTTDP1KMT2AL3MBTL1
SCHEMBL5886755 0.80 ALDH1A1 (0.52) ALDH1A1HTTTDP1KMT2AL3MBTL1
SCHEMBL983419 0.79 ALDH1A1 (0.62) ALDH1A1HTTTDP1KMT2AL3MBTL1
Bicarbonate SCHEMBL18955378 0.78 ALDH1A1 (0.56) ALDH1A1HTTTDP1KMT2AL3MBTL1
Bicarbonate SCHEMBL18955379 0.78 ALDH1A1 (0.56) ALDH1A1HTTTDP1KMT2AL3MBTL1
SCHEMBL19543206 0.78 RAB9A (0.58) ALDH1A1HTTTDP1KMT2AL3MBTL1
SCHEMBL19025062 0.77 ALDH1A1 (0.71) ALDH1A1HTTTDP1KMT2AL3MBTL1
SCHEMBL28008005 0.77 ALDH1A1 (0.63) ALDH1A1HTTTDP1KMT2AL3MBTL1
SCHEMBL6796693 0.77 ALDH1A1 (0.56) ALDH1A1HTTTDP1KMT2AL3MBTL1

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-5453341-A Radiation-sensitive polymers and positive-working recording materials SCHWALM REINHOLD (DE) 1995-09-26 US disclosed
US-5260410-A Photodegradation, semiconductor photoresists SCHWALM REINHOLD (DE) 1993-11-09 US disclosed