SCHEMBL8545544

SCHEMBL8545544

CCOC(=O)CCC(Oc1cc(OCc2ccccc2)ccc1C(=O)OC)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KMT2A Q03164 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
MAOB P27338 2/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NMT1 P30419 1/20 0.41

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
SCHEMBL8549662 0.90 MAOB (0.51) LMNAL3MBTL1MEN1HSP90AA1KMT2A
SCHEMBL8551119 0.90 PARP15 (0.45) LMNAL3MBTL1MEN1HSP90AA1KMT2A
SCHEMBL7914050 0.89 FFAR4 (0.48) MAOB
SCHEMBL7914053 0.89 FFAR4 (0.48) MAOB
SCHEMBL8545380 0.89 NMT1 (0.44) LMNAL3MBTL1MEN1HSP90AA1KMT2A
SCHEMBL8547228 0.88 LMNA (0.43) LMNAL3MBTL1MEN1HSP90AA1KMT2A
SCHEMBL8551504 0.84 LMNA (0.45) LMNAL3MBTL1MEN1HSP90AA1KMT2A
SCHEMBL8550601 0.83 CYP2D6 (0.53)
SCHEMBL8550067 0.83 LMNA (0.49) LMNAL3MBTL1KMT2ANR1H4MAOB
SCHEMBL8549918 0.82 GPR132 (0.43) MAOB

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-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP claimed