SCHEMBL2551044

SCHEMBL2551044

CCOC(=O)Cc1c(C(=O)OCC)sc(NC(=O)Cc2c(C(=O)OCC)sc(N(CC(=O)OCC)CC(=O)OCC)c2C#N)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.52
APOBEC3G Q9HC16 1/20 0.45
BRAF P15056 3/20 0.43
ALDH1A1 P00352 7/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 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
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39

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 0.90 L3MBTL1 (0.48) RXFP1APOBEC3GBRAFALDH1A1MEN1
SCHEMBL1289601 0.83 L3MBTL1 (0.41) RXFP1APOBEC3GBRAFALDH1A1MEN1
SCHEMBL1922242 0.80 L3MBTL1 (0.40) RXFP1APOBEC3GBRAFALDH1A1MEN1
SCHEMBL4382831 0.78 ALDH1A1 (0.37) RXFP1APOBEC3GBRAFALDH1A1MEN1
SCHEMBL2553694 0.77 RXFP1 (0.53) RXFP1APOBEC3GBRAFALDH1A1MEN1
SCHEMBL2228571 0.76 L3MBTL1 (0.37) RXFP1APOBEC3GALDH1A1MEN1KMT2A
SCHEMBL516264 0.75 PLA2G1B (0.41) RXFP1ALDH1A1MEN1KMT2ATSHR
SCHEMBL18430411 0.73 L3MBTL1 (0.54) RXFP1APOBEC3GBRAFALDH1A1MEN1
SCHEMBL1922260 0.72 PLA2G1B (0.43) RXFP1ALDH1A1MEN1KMT2ATSHR
SCHEMBL2554376 0.71 L3MBTL1 (0.74) RXFP1APOBEC3GALDH1A1MEN1KMT2A

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