SCHEMBL14775910

SCHEMBL14775910

CCc1c(O)c(O)c([N+](=O)[O-])c(C(=O)c2nccs2)c1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.33
PLA2G7 Q13093 1/20 0.31
CCNB2 O95067 1/20 0.30
CCNE2 O96020 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
PLA2G4A P47712 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL14775871 0.78 LMNA (0.41) ALDH1A1HPGDFEN1
SCHEMBL14775936 0.77 FBP1 (0.37) ALDH1A1
SCHEMBL14775633 0.75 FTO (0.44) FTOALDH1A1HPGDPLA2G7CDK2
SCHEMBL14775713 0.75 PKM (0.32) ALDH1A1
SCHEMBL1656427 0.72 ALDH1A1 (0.38) FTOALDH1A1HPGD
SCHEMBL9489749 0.71 IMPDH2 (0.38)
SCHEMBL12082482 0.70 ALDH1A1 (0.41) ALDH1A1HPGD
SCHEMBL5590503 0.67 LDHA (0.36)
SCHEMBL12717678 0.65 FTO (0.40) FTOALDH1A1HPGDPLA2G7MAOA
SCHEMBL121301 0.64

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-2305633-B1 Catechol derivative and its use KISSEI PHARMACEUTICAL (JP) 2013-03-20 EP claimed