SCHEMBL4635188

SCHEMBL4635188

CC(=O)Oc1c(C)oc2cc(OCCN(CCO)c3ccccc3NS(C)(=O)=O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
BRAF P15056 4/20 0.36
PGR P06401 2/20 0.35
NR3C2 P08235 2/20 0.35
AR P10275 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
HPGD P15428 1/20 0.35
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL4484186 0.85 NR3C1 (0.42) NR3C1KMT2AGAAKDM4EPGR
SCHEMBL4484871 0.83 KDM4E (0.44) NR3C1KMT2AKDM4EPGRNR3C2
SCHEMBL4486735 0.83 NR3C1 (0.40) NR3C1PGRNR3C2ARBCHE
SCHEMBL6665773 0.81 NR3C1 (0.37) NR3C1PGRNR3C2AR
SCHEMBL1120828 0.76 NR3C1 (0.41) NR3C1PGRNR3C2AR
SCHEMBL1120796 0.76 NR3C1 (0.43) NR3C1PGRNR3C2AR
Hydrochloric Acid SCHEMBL1120842 0.75 NR3C1 (0.43) NR3C1PGRNR3C2AR
SCHEMBL1120856 0.75 NR3C1 (0.40) NR3C1KMT2AMAPTPGRNR3C2
SCHEMBL1120902 0.74 NR3C1 (0.42) NR3C1GAAMAPTKDM4EPGR
SCHEMBL1120929 0.74 KDM4E (0.45) NR3C1SMN1; SMN2KMT2AGAAMAPT

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-1935882-A1 Bicyclic compounds Asahi Kasei Pharma Corporation (JP) 2008-06-25 EP disclosed
EP-1447400-A1 BICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2004-08-18 EP disclosed