SCHEMBL8602292

SCHEMBL8602292

Cc1cn(CC(C)C)c2cc(C(=O)O)ccc12

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.64
PDE4A P27815 5/20 0.61
PDE4B Q07343 5/20 0.61
PDE4C Q08493 5/20 0.61
PDE4D Q08499 5/20 0.61
KDM4E B2RXH2 2/20 0.49
B3GNT2 Q9NY97 1/20 0.48
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.43
ACE2 Q9BYF1 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
Hydrochloric Acid SCHEMBL8601437 0.99 SLC22A12 (0.62) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8601435 0.87 PDE4A (0.63) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8600636 0.85 PDE4A (0.57) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8604518 0.81 SLC22A12 (0.65) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8599922 0.79 SLC22A12 (0.74) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL1552940 0.78 SLC22A12 (0.58) SLC22A12PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL8598410 0.78 SLC22A12 (0.72) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL11976856 0.78 SLC22A12 (1.00) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL13578013 0.78 SLC22A12 (0.61) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL1552793 0.77 PDE4A (0.62) SLC22A12PDE4APDE4BPDE4CPDE4D

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
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed