SCHEMBL7018531

SCHEMBL7018531

CC(C)COC(=O)Nc1c[c]cc(C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ LMNA P02545 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MAOB P27338 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPKAPK2 P49137 1/20 0.37
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ MMP12 P39900 1/20 0.36

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
SCHEMBL7015250 0.84 TSHR (0.55) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL7014986 0.84 LMNA (0.52) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL7011324 0.82 MEN1 (0.42) SMN1; SMN2ALDH1A1L3MBTL1MAPK1NPC1
SCHEMBL7013691 0.82 BCHE (0.50) SMN1; SMN2ALDH1A1TSHRL3MBTL1NPC1
SCHEMBL7016543 0.82 SMN1; SMN2 (0.56) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL7014547 0.82 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL7012035 0.81 SMN1; SMN2 (0.48) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL7021855 0.80 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL7015029 0.80 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL21268314 0.78 NPC1 (0.40) SMN1; SMN2ALDH1A1HTTL3MBTL1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889034-B1 AMINOPYRIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-09-17 — — EP disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 — — US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 — — EP disclosed
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