SCHEMBL5733787

SCHEMBL5733787

COc1ccc(C(=O)c2ccc(C(=O)NC3CCCCC3c3ccc(OC)c(OC)c3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.52
SSTR3 P32745 2/20 0.48
TAS1R3 Q7RTX0 3/20 0.48
TAS1R1 Q7RTX1 3/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
F10 P00742 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
MEN1 O00255 1/20 0.43
ALPL P05186 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C9 P11712 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM1A O60341 1/20 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
SCHEMBL5733789 1.00 ALDH1A1 (0.52) ALDH1A1GAASSTR3TAS1R3TAS1R1
SCHEMBL5733895 0.91 TACR1 (0.51) ALDH1A1GAATAS1R3TAS1R1PDE4A
SCHEMBL5733889 0.91 TACR1 (0.51) ALDH1A1GAATAS1R3TAS1R1PDE4A
SCHEMBL5733686 0.91 TACR1 (0.45) ALDH1A1GAATAS1R3TAS1R1NPC1
SCHEMBL5733689 0.91 TACR1 (0.45) ALDH1A1GAATAS1R3TAS1R1NPC1
SCHEMBL5734110 0.90 TAS1R3 (0.53) GAASSTR3TAS1R3TAS1R1SMN1; SMN2
SCHEMBL5734102 0.90 TAS1R3 (0.53) GAASSTR3TAS1R3TAS1R1SMN1; SMN2
SCHEMBL7204083 0.88 TAS1R3 (0.51) TAS1R3TAS1R1RAB9APDE4APDE4B
SCHEMBL5053376 0.88 TAS1R3 (0.51) TAS1R3TAS1R1RAB9APDE4APDE4B
SCHEMBL5737318 0.88 TAS1R3 (0.51) ALDH1A1TAS1R3TAS1R1PDE4APDE4B

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