SCHEMBL5735222

SCHEMBL5735222

COc1ccc([C@H]2CCCC[C@H]2NC(=O)c2ccc(Oc3ccccc3)cc2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.55
MMP7 P09237 1/20 0.55
MMP9 P14780 1/20 0.55
MMP13 P45452 1/20 0.55
TTR P02766 1/20 0.47
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
SPTLC2 O15270 5/20 0.47
PKM P14618 1/20 0.46
MCHR1 Q99705 1/20 0.45
MCOLN2 Q8IZK6 1/20 0.45
MCOLN1 Q9GZU1 1/20 0.45
EZH2 Q15910 1/20 0.44
F10 P00742 1/20 0.44
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43

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
SCHEMBL5735217 1.00 MMP2 (0.55) MMP2MMP7MMP9MMP13TTR
SCHEMBL5733720 0.92 PKM (0.57) MMP2MMP7MMP9MMP13TAS1R3
SCHEMBL5733718 0.92 PKM (0.57) MMP2MMP7MMP9MMP13TAS1R3
SCHEMBL5733889 0.89 TACR1 (0.51) TAS1R3TAS1R1SPTLC2MCOLN2MCOLN1
SCHEMBL5733895 0.89 TACR1 (0.51) TAS1R3TAS1R1SPTLC2MCOLN2MCOLN1
SCHEMBL5735591 0.89 PKM (0.51) MMP2MMP7MMP9MMP13TAS1R3
SCHEMBL5735590 0.89 PKM (0.51) MMP2MMP7MMP9MMP13TAS1R3
SCHEMBL5733787 0.87 ALDH1A1 (0.52) TAS1R3TAS1R1F10PDE4APDE4B
SCHEMBL5733789 0.87 ALDH1A1 (0.52) TAS1R3TAS1R1F10PDE4APDE4B
SCHEMBL5053376 0.86 TAS1R3 (0.51) TAS1R3TAS1R1SPTLC2PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1650193-A2 6-Phenylphenanthridines with PDE-IV inhibiting activity ALTANA Pharma AG (DE) 2006-04-26 EP disclosed
EP-1147089-B1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2005-12-07 EP disclosed
US-6476025-B1 Phenylphennanthridines with PDE-IV inhibiting activity ALTANA PHARMA AG (DE) 2002-11-05 US disclosed
EP-1147089-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-10-24 EP disclosed
WO-2000042020-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 WO disclosed