SCHEMBL9178134

SCHEMBL9178134

COC(OC)c1ccc([N+](=O)[O-])c(OC(=O)OC(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
HTT P42858 2/20 0.36
ELANE P08246 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33
CHEK1 O14757 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.32
VCAM1 P19320 1/20 0.32
AR P10275 1/20 0.32
PELP1 Q8IZL8 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32

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
SCHEMBL27090240 0.80 BACE1 (0.40) ALDH1A1HTTELANENPSR1TDP1
SCHEMBL4046263 0.78 CASP6 (0.53) ALDH1A1ELANELMNA
SCHEMBL8185669 0.72 GPR35 (0.51) ALDH1A1TDP1L3MBTL1HPGDLMNA
SCHEMBL8781783 0.72 ELANE (0.60) ELANENPSR1L3MBTL1HPGDLMNA
SCHEMBL9172865 0.72 NPC1 (0.41) ALDH1A1HTTL3MBTL1
SCHEMBL9178124 0.70 ELANE (0.46) ELANEL3MBTL1
SCHEMBL521667 0.70 ALDH1A1 (0.38) ALDH1A1HTTTDP1L3MBTL1CHEK1
SCHEMBL18823473 0.69 ELANE (0.49) ALDH1A1HTTELANEL3MBTL1LMNA
SCHEMBL5886755 0.69 ALDH1A1 (0.52) ALDH1A1HTTNPSR1TDP1L3MBTL1
SCHEMBL14568010 0.69 TSHR (0.38) ALDH1A1HTTTDP1LMNA

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-0525626-B1 Compounds containing acid-cleavable protective groups and positive-working radiation-sensitive compositions prepared using these compounds HOECHST AG (DE) 1995-06-14 EP disclosed
EP-0525626-A1 Compounds containing acid-cleavable protective groups and positive-working radiation-sensitive compositions prepared using these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-03 EP disclosed