SCHEMBL8705206

SCHEMBL8705206

CCc1ccc2c(CC(NC(C)=O)C(=O)O)ccc-2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TNF P01375 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MME P08473 2/20 0.37
ACE P12821 2/20 0.37
CPA1 P15085 2/20 0.37
ACE2 Q9BYF1 2/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 1/20 0.36
MEN1 O00255 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
SCHEMBL8704879 0.84 KDM4E (0.43) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL8704878 0.81 ALOX15 (0.38) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL8668236 0.77 MME (0.41) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL8669966 0.75 TNF (0.38) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL27537229 0.73 KDM4E (0.47) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL7542440 0.73 KDM4E (0.47) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL4389856 0.72 TNF (0.46) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL27546548 0.72 KDM4E (0.46) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL8668831 0.71 TNF (0.39) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL6872282 0.69 KDM4E (0.44) ALOX15KDM4EMAPTTHRBNFKB1

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