SCHEMBL8599992

SCHEMBL8599992

Cc1cn(CCCC2CCCCC2)c2cc(CC(=O)O)ccc12

nearest known ligand 0.57

Predicted protein targets (top 13)

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 9/20 0.55
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
MAPT P10636 1/20 0.40
CNR1 P21554 1/20 0.39

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
SCHEMBL8604568 0.85 SLC22A12 (0.60) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL1553033 0.84 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8603044 0.81 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL1553972 0.80 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8602176 0.79 SLC22A12 (0.61) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL8602713 0.78 SLC22A12 (0.63) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL1554927 0.78 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL16587422 0.76 SLC22A12 (0.70) SLC22A12KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1554767 0.73 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DSLC22A12
SCHEMBL17316681 0.73 SLC22A12 (0.61) SLC22A12KDM4EALDH1A1HPGDHSD17B10

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