SCHEMBL23778017

SCHEMBL23778017

COc1cc2c(cc1OCc1ccccc1)OC(C(C)C)CC2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.48
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
AGTR2 P50052 1/20 0.43
CHRNA7 P36544 2/20 0.42
GALR3 O60755 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NR2F2 P24468 1/20 0.42
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41

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
SCHEMBL23778031 0.85 KDM4E (0.47) GALR3MAPTKDM4ENPC1MAPK1
SCHEMBL23778062 0.83 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DCHRNA7
SCHEMBL8063014 0.81 PDE4A (0.54) PDE4BPDE4APDE4CPDE4DTDP1
SCHEMBL23788321 0.74 SRD5A1 (0.38) NPC1RAB9ACTSVCTSLSRD5A1
SCHEMBL9819174 0.73 AKR1B1 (0.56) PDE4BNPC1RAB9ASMN1; SMN2
SCHEMBL19450185 0.73 CTSV (0.56) PDE4BPDE4APDE4CPDE4DCHRNA7
SCHEMBL8069101 0.72 MAOB (0.47) KDM4E
SCHEMBL12067028 0.72 MAOB (0.69) MAPTKDM4ENPC1MAPK1RAB9A
SCHEMBL23778094 0.72 MEN1 (0.41) PDE4BCHRNA7NPC1RAB9ASMN1; SMN2
SCHEMBL21052574 0.71 CTSV (0.39) PDE4BAGTR2KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3720857-B1 2-OXO-5H-CHROMENO[4,3-B]PYRIDINES FOR USE IN THE TREATMENT OF HEPATITIS B GALAPAGOS NV (BE) 2021-09-08 EP disclosed
EP-3720857-B1 2-OXO-5H-CHROMENO[4,3-B]PYRIDINES FOR USE IN THE TREATMENT OF HEPATITIS B GALAPAGOS NV (BE) 2021-09-08 EP disclosed