SCHEMBL8669966

SCHEMBL8669966

CCc1ccc2c(CC(NC(C)=O)C(=O)O)ccc-2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
ACE P12821 2/20 0.37
MME P08473 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
MAPT P10636 3/20 0.36
ALOX15 P16050 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
THRB P10828 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS2 P35354 1/20 0.36
THPO P40225 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.34

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
SCHEMBL8668831 0.84 TNF (0.39) TNFALDH1A1LMNAACEMME
SCHEMBL8669916 0.77 ALDH1A1 (0.43) TNFALDH1A1LMNAACEMME
SCHEMBL8705206 0.75 ALOX15 (0.39) TNFALDH1A1LMNAACEMME
SCHEMBL8668236 0.69 MME (0.41) TNFALDH1A1LMNAACEMME
SCHEMBL3278174 0.69 LMNA (0.52) LMNAACEMMECPA1ACE2
SCHEMBL3278180 0.69 LMNA (0.52) LMNAACEMMECPA1ACE2
SCHEMBL8704879 0.68 KDM4E (0.43) TNFALDH1A1LMNAACEMME
SCHEMBL8704878 0.67 ALOX15 (0.38) TNFALDH1A1LMNAACEMME
SCHEMBL8669962 0.66 TNF (0.39) TNFALDH1A1LMNAACEMME
SCHEMBL8815317 0.65 L3MBTL1 (0.52) TNFALDH1A1LMNAACEMME

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
US-5849781-A Tricyclic amides ADIR ET COMPAGNIE (FR) 1998-12-15 US disclosed
US-5712312-A MELATONINERGIC RECEPTOR LIGANDS, TREATMENT OF SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1998-01-27 US disclosed