SCHEMBL7359665

SCHEMBL7359665

COc1ccc(C(=O)Cl)cc1OC1CC2COC1C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 15/20 0.45
PDE4B Q07343 13/20 0.45
PDE4A P27815 10/20 0.45
PDE4C Q08493 10/20 0.45
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
PKM P14618 1/20 0.40
CNR2 P34972 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
TPMT P51580 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 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
SCHEMBL8556184 0.90 PDE4B (0.53) PDE4DPDE4BPDE4APDE4CCYP1A2
SCHEMBL7358356 0.83 MKNK2 (0.32) PDE4DPDE4BPDE4APDE4C
SCHEMBL7356302 0.82 PDE4D (0.63) PDE4DPDE4BPDE4APDE4C
SCHEMBL7355711 0.81 PDE4D (0.71) PDE4DPDE4BPDE4APDE4C
SCHEMBL7358878 0.79 ALDH1A1 (0.51) PDE4DPDE4BPDE4APDE4CTSHR
SCHEMBL7363109 0.78 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CCYP1A2
SCHEMBL7354641 0.74 PDE4A (0.36) PDE4DPDE4BPDE4APDE4CTSHR
SCHEMBL29521706 0.73 TSHR (0.70) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL184025 0.73 TSHR (0.70) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL7353992 0.73 PDE4D (0.40) PDE4DPDE4BPDE4APDE4CCYP1A2

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