SCHEMBL8668912

SCHEMBL8668912

COc1ccc2sccc2c1CC(NC(C)=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.39
ALDH1A1 P00352 2/20 0.39
FPR2 P25090 1/20 0.38
KMT2A Q03164 2/20 0.38
TNF P01375 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS2 P35354 1/20 0.37
THPO P40225 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
MTNR1A P48039 1/20 0.36

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
SCHEMBL8672201 0.83 ALOX15 (0.39) ALOX15ALDH1A1TNFKDM4EMAPT
SCHEMBL8671445 0.83 KDM4E (0.39) ALOX15ALDH1A1TNFKDM4EMAPT
SCHEMBL8669828 0.78 KMT2A (0.49) ALOX15ALDH1A1FPR2KMT2AMAPT
SCHEMBL8670242 0.77 CYP1A1 (0.40) ALOX15ALDH1A1FPR2KMT2ATNF
SCHEMBL8668930 0.76 MTNR1A (0.60) ALOX15ALDH1A1FPR2KMT2ATNF
SCHEMBL8673938 0.76 MTNR1A (0.52) ALOX15ALDH1A1KMT2AMEN1MTNR1A
SCHEMBL8668238 0.76 TACR1 (0.43) ALOX15TNFKDM4EMAPTTHRB
SCHEMBL20561813 0.73 MTNR1A (0.49) SMN1; SMN2LMNAMTNR1AMTNR1B
SCHEMBL3419160 0.70 LDHA (0.66) ALOX15ALDH1A1FPR2KMT2AITGB3
SCHEMBL2516039 0.70 LDHA (0.66) ALOX15ALDH1A1FPR2KMT2AITGB3

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