SCHEMBL6989070

SCHEMBL6989070

CC(C)(C)NC(=O)Oc1cc(-c2ccc(-c3ccccc3)cc2)cc(=O)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NCOA1 Q15788 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
HSP90AA1 P07900 1/20 0.35
NAAA Q02083 3/20 0.35

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
SCHEMBL6987344 0.88 MAPT (0.34) LMNANPC1MAPTKDM4EKMT2A
SCHEMBL7090856 0.88 MAOA (0.38) LMNANPC1MAPTCASP3SENP8
SCHEMBL6988241 0.82 PGR (0.41)
SCHEMBL6703548 0.77 NPC1 (0.46) LMNANPC1MAPTCASP3SENP8
SCHEMBL6704193 0.75 NPC1 (0.47) LMNANPC1MAPTCASP3SENP8
SCHEMBL5486246 0.73 NPC1 (0.45) LMNANPC1MAPTCASP3SENP8
SCHEMBL27529112 0.73 MAPT (0.45) LMNANPC1MAPTCASP3SENP8
SCHEMBL27502700 0.70 ABCB1 (0.53) LMNANPC1MAPTCASP3SENP8
SCHEMBL27767996 0.69 MAPK1 (0.40) LMNANPC1MAPTCASP3SENP8
SCHEMBL1893211 0.68 ALDH1A1 (0.51) LMNANPC1MAPTCASP3SENP8

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
EP-1324984-A1 BUTENOLIDE AND PENTENOLIDE DERIVATIVES AS KINASE INHIBITORS Morphochem AG (DE) 2003-07-09 EP disclosed
WO-2002030892-A1 BUTENOLIDE AND PENTENOLIDE DERIVATIVES AS KINASE INHIBITORS MORPHOCHEM AG (DE) 2002-04-18 WO disclosed