SCHEMBL27510941

SCHEMBL27510941

CCOC(=O)CCc1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HRH2 P25021 1/20 0.43
HTR1D P28221 1/20 0.43

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
SCHEMBL27841947 0.82 MAOA (0.56) MAPTCA12CA9KDM4EMAOB
SCHEMBL3914336 0.81 MAOB (0.55) KDM4EMAOBMAOAKMT2AALDH1A1
SCHEMBL8178252 0.81 CA12 (0.51) CA12CA9KDM4EMAOBMAOA
SCHEMBL27511219 0.80 FLT3 (0.47) MAPTCA12CA9KDM4EMAOB
Hydrochloric Acid SCHEMBL6983719 0.79 FLT3 (0.46) MAPTCA12CA9KDM4EMAOB
SCHEMBL8142148 0.79 TBXAS1 (0.46) KDM4EMAOBMAOAALDH1A1HRH3
SCHEMBL3903384 0.79 MAOB (0.57) CA12CA9KDM4EMAOBALDH1A1
SCHEMBL7030964 0.78 MAOB (0.50) MAPTKDM4EMAOBKMT2AALDH1A1
SCHEMBL282766 0.78 CA12 (0.49) CA12CA9MAOBMAOAPOLB
SCHEMBL5711170 0.78 CA12 (0.54) MAPTCA12CA9KDM4EMAOB

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-1209060-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-02-24 CN disclosed