SCHEMBL8602152

SCHEMBL8602152

Cc1cn(Cc2ccccc2)c2cc(CC(=O)O)ccc12

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 13/20 0.78
PDE4A P27815 3/20 0.55
PDE4B Q07343 3/20 0.55
PDE4C Q08493 3/20 0.55
PDE4D Q08499 3/20 0.55
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
PPARG P37231 1/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL8604805 0.91 SLC22A12 (0.74) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8572873 0.90 SLC22A12 (0.70) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL11976690 0.88 SLC22A12 (1.00) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8600343 0.87 SLC22A12 (0.67) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL11975001 0.87 SLC22A12 (1.00) SLC22A12
SCHEMBL11977167 0.86 SLC22A12 (1.00) SLC22A12
SCHEMBL8599076 0.86 SLC22A12 (0.65) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL8599807 0.86 SLC22A12 (0.65) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL11976676 0.85 SLC22A12 (0.73) SLC22A12ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8602713 0.85 SLC22A12 (0.63) 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