SCHEMBL8889710

SCHEMBL8889710

COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)cc1OCCc1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.67
ALDH1A1 P00352 2/20 0.49
USP2 O75604 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PDE4A P27815 2/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PTAFR P25105 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44

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
SCHEMBL8891595 0.84 PDE4D (0.67) PDE4DPDE4APDE4BPDE4C
SCHEMBL8889809 0.83 PDE4B (0.70) PDE4DALDH1A1USP2NPSR1L3MBTL1
SCHEMBL8890700 0.83 ALDH1A1 (0.57) ALDH1A1USP2NPSR1L3MBTL1PTAFR
SCHEMBL8889603 0.82 ALDH1A1 (0.58) PDE4DALDH1A1USP2NPSR1L3MBTL1
SCHEMBL1026961 0.82 PDE4D (1.00) PDE4DPDE4APDE4BPDE4C
SCHEMBL1434394 0.82 PDE4D (0.84) PDE4DPDE4APDE4BPDE4C
SCHEMBL8554187 0.80 PDE4D (0.73) PDE4DPDE4APDE4BPDE4C
SCHEMBL8890105 0.79 PDE4B (0.72) PDE4DALDH1A1USP2NPSR1L3MBTL1
SCHEMBL8890126 0.78 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CPTAFR
SCHEMBL6276143 0.78 ALDH1A1 (0.67) PDE4DALDH1A1USP2NPSR1L3MBTL1

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
WO-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO claimed
WO-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed