SCHEMBL8664855

SCHEMBL8664855

C=CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.51
TGM2 P21980 1/20 0.49
CASP3 P42574 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
BCHE P06276 1/20 0.45
MAOB P27338 1/20 0.45
APP P05067 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
CES1 P23141 2/20 0.43
BRAF P15056 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
CES2 O00748 1/20 0.42

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
SCHEMBL7900296 0.79 FBP1 (0.54) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1856375 0.79 FBP1 (0.58) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1093528 0.79 FBP1 (0.58) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1093526 0.79 FBP1 (0.58) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL14477222 0.79 FBP1 (0.58) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL5332797 0.76 AKR1C3 (0.52) TGM2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL175544 0.76 AKR1C3 (0.52) TGM2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL52681 0.76 AKR1C3 (0.58) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL481147 0.76 AKR1C3 (0.58) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL11562081 0.76 CAPN1 (0.58) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E

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-0883016-A1 Method for producing phase retarder films SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-09 EP disclosed