SCHEMBL5733718

SCHEMBL5733718

COc1ccc(C2CCCCC2NC(=O)c2cccc(Oc3ccccc3)c2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
NPC1 O15118 1/20 0.54
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
TAS1R2 Q8TE23 1/20 0.46
MMP2 P08253 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
MCL1 Q07820 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
PDE4B Q07343 1/20 0.44
MCOLN2 Q8IZK6 1/20 0.43
MCOLN1 Q9GZU1 1/20 0.43
SPTLC2 O15270 5/20 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
SCHEMBL5733720 1.00 PKM (0.57) PKMNPC1TAS1R3TAS1R1TAS1R2
SCHEMBL5735591 0.95 PKM (0.51) PKMNPC1TAS1R3TAS1R1TAS1R2
SCHEMBL5735590 0.95 PKM (0.51) PKMNPC1TAS1R3TAS1R1TAS1R2
SCHEMBL5734163 0.92 PKM (0.48) PKMNPC1TAS1R3TAS1R1TAS1R2
SCHEMBL5734166 0.92 PKM (0.48) PKMNPC1TAS1R3TAS1R1TAS1R2
SCHEMBL5735222 0.92 MMP2 (0.55) PKMTAS1R3TAS1R1MMP2MMP7
SCHEMBL5735217 0.92 MMP2 (0.55) PKMTAS1R3TAS1R1MMP2MMP7
SCHEMBL5734799 0.88 TACR1 (0.49) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL5734789 0.88 TACR1 (0.49) TAS1R3TAS1R1MEN1KMT2AALDH1A1
SCHEMBL5734459 0.88 SMPD1 (0.49) NPC1HDAC8MEN1KMT2AALDH1A1

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