SCHEMBL2553694

SCHEMBL2553694

CCOC(=O)CN(CC(=O)OCC)c1sc(C(=O)OCC)c(C)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.53
ALDH1A1 P00352 6/20 0.52
HPGD P15428 3/20 0.52
KDM4E B2RXH2 1/20 0.52
APOBEC3G Q9HC16 1/20 0.51
BRAF P15056 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ADORA2A P29274 1/20 0.45
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
FNTA P49354 1/20 0.41

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
SCHEMBL2552584 0.86 L3MBTL1 (0.48) RXFP1ALDH1A1HPGDKDM4EAPOBEC3G
SCHEMBL1289601 0.79 L3MBTL1 (0.41) RXFP1ALDH1A1HPGDKDM4EAPOBEC3G
SCHEMBL1922242 0.78 L3MBTL1 (0.40) RXFP1ALDH1A1HPGDKDM4EAPOBEC3G
SCHEMBL2228571 0.78 L3MBTL1 (0.37) RXFP1ALDH1A1HPGDKDM4EAPOBEC3G
SCHEMBL2551044 0.77 RXFP1 (0.52) RXFP1ALDH1A1HPGDKDM4EAPOBEC3G
SCHEMBL14421497 0.77 RXFP1 (0.63) RXFP1ALDH1A1HPGDKDM4EAPOBEC3G
SCHEMBL4382831 0.76 ALDH1A1 (0.37) RXFP1ALDH1A1HPGDKDM4EAPOBEC3G
SCHEMBL626630 0.75 ADORA2A (0.74) RXFP1ALDH1A1HPGDKDM4EAPOBEC3G
SCHEMBL2550483 0.75 ALDH1A1 (0.41) RXFP1ALDH1A1HPGDKDM4EAPOBEC3G
SCHEMBL12125328 0.73 L3MBTL1 (0.45) RXFP1ALDH1A1HPGDKDM4EMEN1

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
WO-2011124992-A1 SUBSTANTIALLY PURE STRONTIUM RANELATE ACTAVIS GROUP PTC EHF (IS) 2011-10-13 WO claimed
WO-2011124992-A1 SUBSTANTIALLY PURE STRONTIUM RANELATE ACTAVIS GROUP PTC EHF (IS) 2011-10-13 WO disclosed