SCHEMBL11435807

SCHEMBL11435807

COc1ccc(C2(C)CNC(=O)O2)cc1OC

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.77
PDE4D Q08499 4/20 0.77
KDM4E B2RXH2 1/20 0.43
MAOA P21397 1/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
PTGER3 P43115 1/20 0.38
PDE4A P27815 5/20 0.38
PDE4C Q08493 3/20 0.38
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
TSHR P16473 1/20 0.36
CASP1 P29466 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
SCHEMBL7760278 0.90 PDE4B (0.82) PDE4BPDE4DKMT2ALMNAPDE4A
SCHEMBL7763958 0.90 PDE4B (0.82) PDE4BPDE4DKMT2ALMNAPDE4A
SCHEMBL7764115 0.90 PDE4B (0.82) PDE4BPDE4DKMT2ALMNAPDE4A
SCHEMBL8486179 0.90 PDE4B (0.67) PDE4BPDE4DKDM4EMAOAKMT2A
SCHEMBL7764403 0.87 PDE4B (0.65) PDE4BPDE4DKDM4EKMT2APTGER3
SCHEMBL7765557 0.87 PDE4B (0.65) PDE4BPDE4DKDM4EKMT2APTGER3
SCHEMBL7763217 0.87 PDE4B (0.75) PDE4BPDE4DKDM4EKMT2APTGER3
SCHEMBL7764133 0.87 PDE4B (0.75) PDE4BPDE4DKDM4EKMT2APTGER3
Daxalipram SCHEMBL450824 0.87 PDE4B (1.00) PDE4BPDE4DKDM4EKMT2ALMNA
Daxalipram SCHEMBL450823 0.87 PDE4B (1.00) PDE4BPDE4DKDM4EKMT2ALMNA

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
US-4186129-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, ANTICONVULSANTS SCHERING AKTIENGESELLSCHAFT (DE) 1980-01-29 US claimed
US-4186129-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, ANTICONVULSANTS SCHERING AKTIENGESELLSCHAFT (DE) 1980-01-29 US disclosed