SCHEMBL8672201

SCHEMBL8672201

CCc1ccc2sccc2c1CC(NC(C)=O)C(=O)O

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
LMNA P02545 1/20 0.38
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
ALDH1A1 P00352 1/20 0.35
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
GNPAT O15228 1/20 0.33

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
SCHEMBL8671445 0.85 KDM4E (0.39) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL8668912 0.83 ALOX15 (0.39) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL8668238 0.81 TACR1 (0.43) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL8669962 0.76 TNF (0.39) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL8674201 0.75 TNF (0.43) ALOX15TNFLMNAEGFRSRC
SCHEMBL4575645 0.70 TACR1 (0.59) ALOX15SMN1; SMN2TNFTACR1CTSS
SCHEMBL21411538 0.69 KEAP1 (0.56) MAPTSMN1; SMN2TNFTACR1MTNR1A
SCHEMBL3278174 0.69 LMNA (0.52) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL3278180 0.69 LMNA (0.52) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL7362451 0.67 CYP2C19 (0.60) 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 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