SCHEMBL5583972

SCHEMBL5583972

CC(CSCOCSCC(C)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TSHR P16473 3/20 0.42
CYP1A2 P05177 2/20 0.42
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
HSD17B10 Q99714 1/20 0.40
RECQL P46063 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HTT P42858 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL5583971 0.85 ALDH1A1 (0.47) ALDH1A1TSHRCYP1A2TDP1HSD17B10
SCHEMBL5583970 0.82 ALDH1A1 (0.50) ALDH1A1TSHRCYP1A2LMNATDP1
SCHEMBL12932157 0.79 ALDH1A1 (0.44) ALDH1A1TSHRCYP1A2LMNATDP1
SCHEMBL12932150 0.79 ALDH1A1 (0.47) ALDH1A1TSHRCYP1A2LMNATDP1
SCHEMBL3323932 0.77 ALDH1A1 (0.50) ALDH1A1TSHRCYP1A2LMNATDP1
SCHEMBL6680488 0.77 ALDH1A1 (0.50) ALDH1A1TSHRCYP1A2LMNATDP1
SCHEMBL12932112 0.77 ALDH1A1 (0.48) ALDH1A1TSHRCYP1A2LMNATDP1
SCHEMBL299909 0.76 ALDH1A1 (0.54) ALDH1A1TSHRCYP1A2LMNATDP1
SCHEMBL23861299 0.76 ALDH1A1 (0.49) ALDH1A1TSHRCYP1A2TDP1HSD17B10
SCHEMBL11254195 0.76 CYP1A2 (0.50) ALDH1A1TSHRCYP1A2LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425417-B1 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS CLONDIAG CHIP TECH GMBH (DE) 2007-10-31 EP disclosed