SCHEMBL23788322

SCHEMBL23788322

COc1cc2c(cc1OCCc1ccccc1)OC(C(C)C)C1=C2C(C2CC2)CCC(=O)/C(C(=O)O)=C\1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
TRPC6 Q9Y210 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MAOB P27338 2/20 0.33
GRIK2 Q13002 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
MMP13 P45452 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
RCE1 Q9Y256 1/20 0.32
MAOA P21397 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32

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
SCHEMBL23788602 0.91 KDR (0.30)
SCHEMBL23788608 0.85 MEN1 (0.35)
SCHEMBL23788637 0.85 IRAK4 (0.31)
SCHEMBL23788626 0.81 IRAK4 (0.37)
SCHEMBL23788304 0.81 CYP2B6 (0.32)
SCHEMBL23788634 0.81 CYP2B6 (0.32)
SCHEMBL23788627 0.81 TSHR (0.33) KDM4E
SCHEMBL23788455 0.80 PPARG (0.31) KDM4E
SCHEMBL23788552 0.78 PPARG (0.31)
SCHEMBL23788321 0.77 SRD5A1 (0.38)

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 1 patent. 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