SCHEMBL8153866

SCHEMBL8153866

C=CC(=O)OCCCCOC(=O)/C=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.44
▸ TDP1 Q9NUW8 3/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL22197280 0.87 ALDH1A1 (0.53) LMNAALDH1A1TDP1STAT3EGFR
SCHEMBL8158566 0.84 ALDH1A1 (0.43) LMNAALDH1A1TDP1STAT3EGFR
SCHEMBL8157287 0.82 STAT3 (0.44) LMNAALDH1A1TDP1STAT3EGFR
SCHEMBL1013073 0.82 STAT3 (0.53) LMNAALDH1A1TDP1STAT3KMT2A
SCHEMBL1013072 0.82 STAT3 (0.53) LMNAALDH1A1TDP1STAT3KMT2A
SCHEMBL11029170 0.81 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL11025091 0.78 ALDH1A1 (0.54) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL4019893 0.77 ALDH1A1 (0.50) LMNAALDH1A1TDP1STAT3TSHR
SCHEMBL11938125 0.77 ALDH1A1 (0.50) LMNAALDH1A1TDP1STAT3TSHR
SCHEMBL11025902 0.77 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4TSHRPOLB

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-RE36625-E Linear and cyclic polymers or oligomers having a photoreactive ethene group ROLIC AG (CH) 2000-03-21 — — US disclosed
US-5539074-A LIQUID CRYSTAL POLYMERS ON SILICA FOR LIGHT SENSITIVE ELEMENTS HOFFMANN-LA ROCHE INC. (US) 1996-07-23 — — US disclosed
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