SCHEMBL6976938

SCHEMBL6976938

CCCc1sc(OC(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
ALDH1A1 P00352 6/20 0.35
POLB P06746 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GALR2 O43603 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
CCR6 P51684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP10 Q14694 1/20 0.35
PIM3 Q86V86 1/20 0.35
HCAR3 P49019 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
VCAM1 P19320 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL5888101 0.78 USP10 (0.49) HTTALDH1A1POLBSMN1; SMN2GALR2
SCHEMBL6967133 0.77 ALOX5 (0.33) ALDH1A1KDM4EMAPT
SCHEMBL8187301 0.77 ALDH1A1 (0.37) HTTALDH1A1LMNAHPGDVCAM1
SCHEMBL5231955 0.71 MEN1 (0.51) ALDH1A1POLBSMN1; SMN2LMNANPSR1
SCHEMBL3364349 0.71 CASP6 (0.40) ALDH1A1POLBSMN1; SMN2LMNAHPGD
SCHEMBL5229628 0.70 SLC9A1 (0.53) ALDH1A1POLBSMN1; SMN2LMNANPSR1
SCHEMBL6978894 0.66 HSD17B10 (0.37) HTTALDH1A1HPGDKDM4ETDP1
SCHEMBL7448258 0.66 SMN1; SMN2 (0.47) HTTALDH1A1POLBSMN1; SMN2MITF
SCHEMBL5231561 0.66 SMN1; SMN2 (0.62) HTTALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL5202332 0.66 SMN1; SMN2 (0.49) HTTALDH1A1POLBSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214316-B1 FIVE MEMBERED-RING COMPOUNDS AND UTILIZATION THEREOF IN LIQUID CRYSTAL MIXTURES CLARIANT INT LTD (CH) 2003-05-07 EP disclosed
EP-1214316-A1 FIVE MEMBERED-RING COMPOUNDS AND UTILIZATION THEREOF IN LIQUID CRYSTAL MIXTURES CLARIANT INTERNATIONAL LTD. (CH) 2002-06-19 EP disclosed
WO-2001016131-A2 FIVE MEMBERED-RING COMPOUNDS AND UTILIZATION THEREOF IN LIQUID CRYSTAL MIXTURES CLARIANT INTERNATIONAL LTD (CH) 2001-03-08 WO disclosed