SCHEMBL13630894

SCHEMBL13630894

COCCCNC(=O)C(C)(O)COC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ALDH1A1 P00352 4/20 0.47
RECQL P46063 1/20 0.45
GAA P10253 2/20 0.43
EPHX2 P34913 2/20 0.42
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL13630906 0.95 TSHR (0.44) TSHRALDH1A1RECQLGAAEPHX2
SCHEMBL13630898 0.86 TSHR (0.50) TSHRALDH1A1RECQLGAAEPHX2
SCHEMBL10092236 0.81 TSHR (0.57) TSHRALDH1A1RECQLGAAEPHX2
SCHEMBL26200750 0.78 TSHR (0.53) TSHRALDH1A1RECQLGAAEPHX2
SCHEMBL13630895 0.76 TSHR (0.52) TSHRALDH1A1RECQLGAAEPHX2
SCHEMBL18997736 0.76 TSHR (0.50) TSHRALDH1A1RECQLGAAEPHX2
SCHEMBL4881440 0.75 TSHR (0.50) TSHRALDH1A1RECQLGAAEPHX2
SCHEMBL13630904 0.75 TSHR (0.46) TSHRALDH1A1RECQLGAAEPHX2
SCHEMBL11382562 0.72 TSHR (0.65) TSHRALDH1A1RECQLGAAEPHX2
SCHEMBL13630893 0.71 POLB (0.61) ALDH1A1GAAPOLBSMN1; SMN2TDP1

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
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed