SCHEMBL13630908

SCHEMBL13630908

COCCCNC(=O)C(C)(O)c1cc(F)cc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.43
HDAC6 Q9UBN7 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 2/20 0.38
ALOX12 P18054 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
LMNA P02545 1/20 0.38
ASAH1 Q13510 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL13630907 0.83 HDAC6 (0.36) HDAC6TSHR
SCHEMBL13630893 0.80 POLB (0.61) ALDH1A1POLBKDM4EHSD17B10GAA
SCHEMBL1161078 0.72 NR5A2 (0.42) ALDH1A1POLBHDAC6KDM4EL3MBTL1
SCHEMBL10092236 0.71 TSHR (0.57) RECQLALDH1A1POLBKDM4EHSD17B10
SCHEMBL13630898 0.69 TSHR (0.50) RECQLALDH1A1POLBKDM4ETSHR
SCHEMBL13630894 0.69 TSHR (0.50) RECQLALDH1A1POLBKDM4EHSD17B10
SCHEMBL26200750 0.69 TSHR (0.53) RECQLALDH1A1POLBKDM4EHSD17B10
SCHEMBL13630895 0.67 TSHR (0.52) RECQLALDH1A1POLBKDM4ETSHR
SCHEMBL30914516 0.67 ALDH1A1 (0.83) RECQLALDH1A1POLBHDAC6KDM4E
SCHEMBL18997736 0.67 TSHR (0.50) RECQLALDH1A1POLBTSHRGAA

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