SCHEMBL5734374

SCHEMBL5734374

COc1ccc(C2CCCCC2NC(=O)c2cccc(OS(C)(=O)=O)c2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.45
TAS1R1 Q7RTX1 4/20 0.45
TAS1R2 Q8TE23 1/20 0.45
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
MCHR1 Q99705 1/20 0.41
PKM P14618 1/20 0.40
GRM5 P41594 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
PDE4B Q07343 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5734379 1.00 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2RAB9ASMN1; SMN2
SCHEMBL5736277 0.87 ALDH1A1 (0.46) TAS1R3TAS1R1TAS1R2SMN1; SMN2HPGD
SCHEMBL5736279 0.87 ALDH1A1 (0.46) TAS1R3TAS1R1TAS1R2SMN1; SMN2HPGD
SCHEMBL5733720 0.86 PKM (0.57) TAS1R3TAS1R1TAS1R2PKMNPC1
SCHEMBL5733718 0.86 PKM (0.57) TAS1R3TAS1R1TAS1R2PKMNPC1
SCHEMBL5735591 0.85 PKM (0.51) TAS1R3TAS1R1TAS1R2RAB9ASMN1; SMN2
SCHEMBL5735590 0.85 PKM (0.51) TAS1R3TAS1R1TAS1R2RAB9ASMN1; SMN2
SCHEMBL5735749 0.84 HTT (0.51) TAS1R3TAS1R1TAS1R2RAB9ALMNA
SCHEMBL5063703 0.84 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL5735744 0.84 HTT (0.51) TAS1R3TAS1R1TAS1R2RAB9ALMNA

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