SCHEMBL6829475

SCHEMBL6829475

CC(C)(C)c1[c]ccc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GALR3 O60755 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 8/20 0.41
TDP1 Q9NUW8 4/20 0.41
ACHE P22303 2/20 0.40
CYP3A4 P08684 2/20 0.39
PTPRC P08575 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 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
SCHEMBL1138594 0.81 TSHR (0.42) TSHRLMNAALDH1A1TDP1ACHE
SCHEMBL11312722 0.81 TSHR (0.42) TSHRLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL28215177 0.76 HTT (0.52) TSHRLMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL455697 0.75 ALDH1A1 (0.50) TSHRLMNAHTTALDH1A1TDP1
SCHEMBL1473759 0.75 ALDH1A1 (0.47) TSHRLMNASMN1; SMN2HTTALDH1A1
SCHEMBL4600496 0.74 MEN1 (0.41) TSHRLMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL26325 0.72 TSHR (0.48) TSHRLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL6247825 0.72 HSD17B10 (0.42) TSHRLMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL8811800 0.71 PTPRC (0.39) TSHRLMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL887743 0.71 TSHR (0.48) TSHRLMNASMN1; SMN2MEN1KMT2A

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-3253561-B1 PROCESS FOR PRODUCING MODIFIED OLEFIN POLYMER IN AN EXTRUDER BOREALIS AG (AT) 2019-05-08 EP claimed
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed