SCHEMBL7354089

SCHEMBL7354089

COc1ccc(C(=O)Cl)cc1OCC1CCC=CO1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.45
PDE4A P27815 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SMPD1 P17405 2/20 0.38

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
SCHEMBL7356169 0.89 CA12 (0.51) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL7353387 0.80 PDE4B (0.63) PDE4BPDE4APDE4CPDE4D
SCHEMBL7354815 0.80 ALDH1A1 (0.49) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL1030016 0.80 PDE4B (0.61) PDE4BPDE4APDE4CPDE4D
SCHEMBL7356945 0.79 NPC1 (0.53) PDE4BPDE4APDE4CPDE4DTSHR
SCHEMBL7362324 0.78 PDE4B (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL20280732 0.73 PARP10 (0.58) ALDH1A1SMN1; SMN2
SCHEMBL3596786 0.72 MAPK1 (0.67) PDE4BPDE4APDE4CPDE4DCYP1A2
SCHEMBL71705 0.72 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DCYP1A2
SCHEMBL29521706 0.72 TSHR (0.70) CYP1A2CYP3A4CYP2C9TSHRCYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed