SCHEMBL27673671

SCHEMBL27673671

CC(=O)Oc1ccc([N+](=O)[O-])cc1C(=O)O.[Fe]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 2/20 0.59
▸ ALDH1A1 P00352 5/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ MAPT P10636 2/20 0.54
▸ RECQL P46063 1/20 0.52
▸ CTSV O60911 2/20 0.50
▸ CTSL P07711 2/20 0.50
▸ PTGS1 P23219 2/20 0.50
▸ PTGS2 P35354 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ ESR1 P03372 1/20 0.50
▸ ITGB3 P05106 1/20 0.50
▸ ITGA2B P08514 1/20 0.50
▸ HMGB1 P09429 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TSHR P16473 1/20 0.50

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
SCHEMBL1315658 0.98 CFD (0.61) CFDALDH1A1TDP1CYP3A4ALOX15
SCHEMBL27653663 0.97 CFD (0.59) CFDALDH1A1TDP1CYP3A4ALOX15
SCHEMBL27673656 0.97 CFD (0.59) CFDALDH1A1TDP1CYP3A4ALOX15
SCHEMBL27673641 0.97 CFD (0.59) CFDALDH1A1TDP1CYP3A4ALOX15
SCHEMBL3011511 0.86 KDM4E (0.59) CFDALDH1A1TDP1CYP3A4ALOX15
SCHEMBL10605482 0.84 RECQL (0.51) ALDH1A1TDP1MAPTRECQLCTSV
SCHEMBL1671926 0.83 CTSV (0.60) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL7263047 0.82 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL7324196 0.82 TP53 (0.55) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL11341567 0.82 RECQL (0.58) ALDH1A1TDP1RECQLKDM4EHTT

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
CN-1925748-B Mixtures and methods for inducing resistance in plants ISAGRO SPA 2011-08-10 — — CN disclosed
CN-1925748-A Mixtures and methods for inducing resistance in plants ISAGRO SPA (IT) 2007-03-07 — — CN disclosed
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