SCHEMBL19606708

SCHEMBL19606708

CCC(C)(C)OCCCNC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.59
▸ LMNA P02545 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ TGM2 P21980 1/20 0.53
▸ KEAP1 Q14145 3/20 0.52
▸ NFE2L2 Q16236 3/20 0.52
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46

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
SCHEMBL22984651 0.88 HTT (0.63) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL23605272 0.85 HTT (0.56) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL22984505 0.82 HTT (0.53) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL3097108 0.82 HTT (0.62) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL22166825 0.81 HTT (0.68) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL1667805 0.81 HTT (0.72) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL18254066 0.80 HTT (0.81) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL17854068 0.80 LMNA (0.71) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL6223210 0.80 HTT (0.67) HTTLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL10845190 0.80 HTT (0.67) HTTLMNASMN1; SMN2L3MBTL1MAPT

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
WO-2017194452-A1 SECO MACROLIDE COMPOUNDS FIDELTA D.O.O. (HR) 2017-11-16 — — WO disclosed
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