SCHEMBL27629941

SCHEMBL27629941

CCOC(=O)CC1CC1.Cc1cncc([N+](=O)[O-])c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
VCAM1 P19320 1/20 0.36
ALDH1A1 P00352 4/20 0.36
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
LMNA P02545 3/20 0.34
MITF O75030 1/20 0.34
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL27610923 0.79 ALDH1A1 (0.32) ALDH1A1MEN1KMT2ALMNA
SCHEMBL14494900 0.76 ALDH1A1 (0.42) VCAM1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30702012 0.76 ALDH1A1 (0.42) VCAM1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30852226 0.70 JAK2 (0.42) DGAT1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2721040 0.70
SCHEMBL6169858 0.70 ALDH1A1 (0.34) VCAM1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL28656348 0.70 DGAT1 (0.40) DGAT1ALDH1A1MEN1KMT2AGAA
SCHEMBL1245984 0.69 ALDH1A1 (0.46) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2221372 0.69 LMNA (0.55) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL23974422 0.68 OPRL1 (0.48) DGAT1ALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1671690-A Antimicrobial azabicyclic derivatives, compositions and uses thereof PROCTER & GAMBLE (US) 2005-09-21 CN disclosed