SCHEMBL8600636

SCHEMBL8600636

COC(=O)c1ccc2c(C)cn(CC(C)C)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.57
PDE4B Q07343 7/20 0.57
PDE4C Q08493 7/20 0.57
PDE4D Q08499 7/20 0.57
SLC22A12 Q96S37 2/20 0.47
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
APOBEC3A P31941 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL19510189 0.86 ALDH1A1 (0.44) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8602292 0.85 SLC22A12 (0.64) PDE4APDE4BPDE4CPDE4DSLC22A12
Hydrochloric Acid SCHEMBL8601437 0.84 SLC22A12 (0.62) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8601435 0.84 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL1554558 0.80 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL11976857 0.80 SLC22A12 (0.75) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL2806053 0.80 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL1552835 0.79 SLC22A12 (0.46) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL1553503 0.79 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8602333 0.79 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DSLC22A12

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