SCHEMBL5735591

SCHEMBL5735591

COc1ccc(Oc2cccc(C(=O)N[C@@H]3CCCC[C@@H]3c3ccc(OC)c(OC)c3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
NPC1 O15118 2/20 0.47
TAS1R3 Q7RTX0 3/20 0.45
TAS1R1 Q7RTX1 3/20 0.45
TAS1R2 Q8TE23 1/20 0.45
MCHR1 Q99705 2/20 0.45
GRM5 P41594 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL5735590 1.00 PKM (0.51) PKMNPC1TAS1R3TAS1R1TAS1R2
SCHEMBL5733718 0.95 PKM (0.57) PKMNPC1TAS1R3TAS1R1TAS1R2
SCHEMBL5733720 0.95 PKM (0.57) PKMNPC1TAS1R3TAS1R1TAS1R2
SCHEMBL5734166 0.92 PKM (0.48) PKMNPC1TAS1R3TAS1R1TAS1R2
SCHEMBL5734163 0.92 PKM (0.48) PKMNPC1TAS1R3TAS1R1TAS1R2
SCHEMBL5735222 0.89 MMP2 (0.55) PKMTAS1R3TAS1R1MCHR1MMP2
SCHEMBL5735217 0.89 MMP2 (0.55) PKMTAS1R3TAS1R1MCHR1MMP2
SCHEMBL6439699 0.87 CYP1A2 (0.53) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL6439700 0.87 CYP1A2 (0.53) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL5733686 0.86 TACR1 (0.45) NPC1TAS1R3TAS1R1TAS1R2MCHR1

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