SCHEMBL7207556

SCHEMBL7207556

[CH2]CCn1ccc(=O)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.42
PGR P06401 8/20 0.42
NR3C2 P08235 7/20 0.42
CDK4 P11802 4/20 0.41
CCND1 P24385 4/20 0.41
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37
P2RX4 Q99571 1/20 0.36
LMNA P02545 1/20 0.36
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 1/20 0.36

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
SCHEMBL31174785 0.84 NR3C1 (0.46) NR3C1PGRNR3C2CDK4CCND1
SCHEMBL4886606 0.82 MEN1 (0.49) NR3C1PGRNR3C2MEN1KMT2A
SCHEMBL8653902 0.82 PDE5A (0.47) NR3C1PGRNR3C2RORARORC
SCHEMBL30292067 0.79 PDE4A (0.48) NR3C1PGRNR3C2MAPK1SMN1; SMN2
SCHEMBL7212104 0.79 CAMK2D (0.48) CDK4CCND1HPGD
SCHEMBL19585644 0.78 NR3C1 (0.44) NR3C1PGRNR3C2MAPK1SMN1; SMN2
SCHEMBL2851614 0.78 NR3C1 (0.50) NR3C1PGRNR3C2MAPK1SMN1; SMN2
SCHEMBL29650348 0.78 NR3C1 (0.50) NR3C1PGRNR3C2MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL29744356 0.77 CNR2 (0.48) NR3C1PGRNR3C2
SCHEMBL17111036 0.76 HTR6 (0.55) MAPK1SMN1; SMN2SIRT2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP claimed
CN-1224426-A 3-descladinose-2, 3-anhydroerythromycin derivatives ABBOTT LAB (US) 1999-07-28 CN claimed
US-5750510-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1998-05-12 US claimed
EP-0922050-B1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2003-07-30 EP disclosed
CN-1224426-A 3-descladinose-2, 3-anhydroerythromycin derivatives ABBOTT LAB (US) 1999-07-28 CN disclosed
EP-0922050-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1999-06-16 EP disclosed
US-5750510-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1998-05-12 US disclosed
WO-1997042205-A1 3-DESCLADINOSE-2,3-ANHYDROERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1997-11-13 WO disclosed